data_xsc08067 _publ_section_title xsc08067 _publ_contact_author_name 'Lauren Brown' _publ_contact_author_address '379 PSB' _publ_contact_author_email brown@chemistry _publ_contact_author_phone 9-4669 _publ_section_comment ; Discussion ; _audit_creation_method SHELXL-97 _chemical_name_systematic ; ? ; _chemical_name_common ? _chemical_melting_point ? _chemical_formula_moiety '2(C25 H30 O4 Si), (H2 O)' _chemical_formula_sum 'C25 H32 O4.50 Si' _chemical_formula_weight 432.60 _chemical_absolute_configuration rmad loop_ _atom_type_symbol _atom_type_description _atom_type_scat_dispersion_real _atom_type_scat_dispersion_imag _atom_type_scat_source 'C' 'C' 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' 'H' 'H' 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' 'O' 'O' 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' 'Si' 'Si' 0.0817 0.0704 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' _symmetry_cell_setting triclinic _symmetry_space_group_name_H-M P1 loop_ _symmetry_equiv_pos_as_xyz 'x, y, z' _cell_length_a 8.060(2) _cell_length_b 8.128(2) _cell_length_c 20.018(6) _cell_angle_alpha 89.896(4) _cell_angle_beta 81.309(4) _cell_angle_gamma 73.202(4) _cell_volume 1239.8(6) _cell_formula_units_Z 2 _cell_measurement_temperature 150(2) _cell_measurement_reflns_used 3176 _cell_measurement_theta_min 2.62 _cell_measurement_theta_max 22.66 _exptl_crystal_description block _exptl_crystal_colour colorless _exptl_crystal_size_max 0.13 _exptl_crystal_size_mid 0.10 _exptl_crystal_size_min 0.08 _exptl_crystal_density_meas ? _exptl_crystal_density_diffrn 1.159 _exptl_crystal_density_method 'not measured' _exptl_crystal_F_000 464 _exptl_absorpt_coefficient_mu 0.123 _exptl_absorpt_correction_type numerical _exptl_absorpt_correction_T_min 0.9842 _exptl_absorpt_correction_T_max 0.9902 _exptl_absorpt_process_details 'Sheldrick, 2008' _exptl_special_details ; ? ; _diffrn_ambient_temperature 150(2) _diffrn_radiation_wavelength 0.71073 _diffrn_radiation_type MoK\a _diffrn_radiation_source 'fine-focus sealed tube' _diffrn_radiation_monochromator graphite _diffrn_measurement_device_type 'Bruker APEX-II' _diffrn_measurement_method \w/2\q-scans _diffrn_detector_area_resol_mean 83.33 _diffrn_reflns_number 13242 _diffrn_reflns_av_R_equivalents 0.0280 _diffrn_reflns_av_sigmaI/netI 0.0740 _diffrn_reflns_limit_h_min -10 _diffrn_reflns_limit_h_max 10 _diffrn_reflns_limit_k_min -10 _diffrn_reflns_limit_k_max 10 _diffrn_reflns_limit_l_min -24 _diffrn_reflns_limit_l_max 24 _diffrn_reflns_theta_min 2.06 _diffrn_reflns_theta_max 26.37 _reflns_number_total 9761 _reflns_number_gt 7188 _reflns_threshold_expression >2sigma(I) _computing_data_collection 'Bruker APEX-II v2008-3' _computing_cell_refinement 'Bruker SAINT v7.34A' _computing_data_reduction 'Bruker SAINT v7.34A' _computing_structure_solution 'SHELXS-97 (Sheldrick, 1990)' _computing_structure_refinement 'SHELXL-97 (Sheldrick, 1997)' _computing_molecular_graphics ? _computing_publication_material ? _refine_special_details ; Refinement of F^2^ against ALL reflections. The weighted R-factor wR and goodness of fit S are based on F^2^, conventional R-factors R are based on F, with F set to zero for negative F^2^. The threshold expression of F^2^ > 2sigma(F^2^) is used only for calculating R-factors(gt) etc. and is not relevant to the choice of reflections for refinement. R-factors based on F^2^ are statistically about twice as large as those based on F, and R- factors based on ALL data will be even larger. ; _refine_ls_structure_factor_coef Fsqd _refine_ls_matrix_type full _refine_ls_weighting_scheme calc _refine_ls_weighting_details 'calc w=1/[\s^2^(Fo^2^)+(0.0556P)^2^+0.1261P] where P=(Fo^2^+2Fc^2^)/3' _atom_sites_solution_primary direct _atom_sites_solution_secondary difmap _atom_sites_solution_hydrogens geom _refine_ls_hydrogen_treatment mixed _refine_ls_extinction_method none _refine_ls_extinction_coef ? _refine_ls_abs_structure_details 'Flack H D (1983), Acta Cryst. A39, 876-881' _refine_ls_abs_structure_Flack 0.08(12) _refine_ls_number_reflns 9761 _refine_ls_number_parameters 566 _refine_ls_number_restraints 4 _refine_ls_R_factor_all 0.0870 _refine_ls_R_factor_gt 0.0540 _refine_ls_wR_factor_ref 0.1268 _refine_ls_wR_factor_gt 0.1109 _refine_ls_goodness_of_fit_ref 1.028 _refine_ls_restrained_S_all 1.028 _refine_ls_shift/su_max 0.012 _refine_ls_shift/su_mean 0.000 loop_ _atom_site_label _atom_site_type_symbol _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_U_iso_or_equiv _atom_site_adp_type _atom_site_occupancy _atom_site_symmetry_multiplicity _atom_site_calc_flag _atom_site_refinement_flags _atom_site_disorder_assembly _atom_site_disorder_group Si1 Si 0.95687(11) 0.61216(11) 0.89026(5) 0.0278(2) Uani 1 1 d . . . O1 O 0.8695(3) 0.4989(3) 0.84616(12) 0.0307(6) Uani 1 1 d . . . O2 O 0.8077(3) 0.4460(3) 0.67834(12) 0.0311(5) Uani 1 1 d . . . O3 O 0.3135(3) 0.4105(3) 0.66609(12) 0.0336(6) Uani 1 1 d . . . O4 O 0.7928(3) 0.6188(4) 0.59310(14) 0.0479(7) Uani 1 1 d . . . C1 C 0.9686(4) 0.3615(4) 0.79813(18) 0.0304(8) Uani 1 1 d . . . H1A H 1.0580 0.2773 0.8196 0.036 Uiso 1 1 calc R . . H1B H 1.0297 0.4078 0.7593 0.036 Uiso 1 1 calc R . . C2 C 0.8451(4) 0.2740(4) 0.7738(2) 0.0332(8) Uani 1 1 d . . . H2A H 0.7837 0.2300 0.8133 0.040 Uiso 1 1 calc R . . H2B H 0.9149 0.1739 0.7435 0.040 Uiso 1 1 calc R . . C3 C 0.7085(4) 0.3911(4) 0.73629(18) 0.0270(7) Uani 1 1 d . . . H3A H 0.6435 0.4949 0.7664 0.032 Uiso 1 1 calc R . . C4 C 0.5738(4) 0.3094(4) 0.71517(18) 0.0290(8) Uani 1 1 d . . . C5 C 0.4716(4) 0.4303(4) 0.66947(18) 0.0294(8) Uani 1 1 d . . . C6 C 0.5374(4) 0.5415(5) 0.63346(18) 0.0311(8) Uani 1 1 d . . . H6A H 0.4653 0.6216 0.6075 0.037 Uiso 1 1 calc R . . C7 C 0.7165(4) 0.5425(5) 0.63312(19) 0.0341(8) Uani 1 1 d . . . C8 C 0.6612(5) 0.1347(5) 0.6765(2) 0.0439(10) Uani 1 1 d . . . H8A H 0.7491 0.1474 0.6389 0.066 Uiso 1 1 calc R . . H8B H 0.5719 0.0950 0.6588 0.066 Uiso 1 1 calc R . . H8C H 0.7181 0.0504 0.7073 0.066 Uiso 1 1 calc R . . C9 C 0.4526(5) 0.2876(5) 0.7791(2) 0.0404(9) Uani 1 1 d . . . H9A H 0.3931 0.4003 0.8020 0.061 Uiso 1 1 calc R . . H9B H 0.5220 0.2124 0.8095 0.061 Uiso 1 1 calc R . . H9C H 0.3649 0.2361 0.7667 0.061 Uiso 1 1 calc R . . C10 C 0.7641(5) 0.7716(5) 0.9420(2) 0.0380(10) Uani 1 1 d . . . C11 C 0.6503(7) 0.6793(7) 0.9855(3) 0.086(2) Uani 1 1 d . . . H11A H 0.5432 0.7639 1.0079 0.129 Uiso 1 1 calc R . . H11B H 0.7154 0.6159 1.0197 0.129 Uiso 1 1 calc R . . H11C H 0.6191 0.5987 0.9569 0.129 Uiso 1 1 calc R . . C12 C 0.6533(5) 0.8854(6) 0.8946(2) 0.0570(12) Uani 1 1 d . . . H12A H 0.5565 0.9737 0.9213 0.086 Uiso 1 1 calc R . . H12B H 0.6056 0.8148 0.8676 0.086 Uiso 1 1 calc R . . H12C H 0.7265 0.9409 0.8645 0.086 Uiso 1 1 calc R . . C13 C 0.8249(7) 0.8859(8) 0.9868(3) 0.098(2) Uani 1 1 d . . . H13A H 0.7225 0.9715 1.0118 0.148 Uiso 1 1 calc R . . H13B H 0.8986 0.9447 0.9587 0.148 Uiso 1 1 calc R . . H13C H 0.8927 0.8154 1.0187 0.148 Uiso 1 1 calc R . . C14 C 1.0802(5) 0.7271(4) 0.8303(2) 0.0323(9) Uani 1 1 d . . . C15 C 1.0366(5) 0.7529(4) 0.76577(18) 0.0354(9) Uani 1 1 d . . . H15A H 0.9490 0.7071 0.7535 0.043 Uiso 1 1 calc R . . C16 C 1.1156(6) 0.8427(5) 0.7188(2) 0.0462(11) Uani 1 1 d . . . H16A H 1.0821 0.8578 0.6752 0.055 Uiso 1 1 calc R . . C17 C 1.2424(6) 0.9099(5) 0.7353(3) 0.0585(13) Uani 1 1 d . . . H17A H 1.2984 0.9705 0.7030 0.070 Uiso 1 1 calc R . . C18 C 1.2879(6) 0.8887(6) 0.7989(3) 0.0716(17) Uani 1 1 d . . . H18A H 1.3742 0.9369 0.8109 0.086 Uiso 1 1 calc R . . C19 C 1.2100(6) 0.7990(6) 0.8451(3) 0.0591(14) Uani 1 1 d . . . H19A H 1.2446 0.7849 0.8885 0.071 Uiso 1 1 calc R . . C20 C 1.0957(5) 0.4620(5) 0.94489(19) 0.0343(9) Uani 1 1 d . . . C21 C 1.2320(5) 0.4948(6) 0.9734(2) 0.0450(11) Uani 1 1 d . . . H21A H 1.2607 0.5989 0.9643 0.054 Uiso 1 1 calc R . . C22 C 1.3259(5) 0.3780(6) 1.0149(2) 0.0521(11) Uani 1 1 d . . . H22A H 1.4166 0.4041 1.0341 0.062 Uiso 1 1 calc R . . C23 C 1.2893(5) 0.2262(5) 1.0283(2) 0.0440(10) Uani 1 1 d . . . H23A H 1.3551 0.1465 1.0562 0.053 Uiso 1 1 calc R . . C24 C 1.1567(5) 0.1898(5) 1.0011(2) 0.0452(10) Uani 1 1 d . . . H24A H 1.1298 0.0849 1.0103 0.054 Uiso 1 1 calc R . . C25 C 1.0621(5) 0.3067(5) 0.9600(2) 0.0417(10) Uani 1 1 d . . . H25A H 0.9708 0.2795 0.9416 0.050 Uiso 1 1 calc R . . Si2 Si 0.26891(11) 0.62259(11) 0.25774(5) 0.0273(2) Uani 1 1 d . . . O1A O 0.3569(3) 0.7352(3) 0.30202(12) 0.0293(6) Uani 1 1 d . . . O2A O 0.3428(3) 0.8702(3) 0.46880(12) 0.0311(6) Uani 1 1 d . . . O3A O 0.3625(3) 1.3684(3) 0.48458(12) 0.0334(6) Uani 1 1 d . . . O4A O 0.1323(4) 0.9188(3) 0.55653(14) 0.0507(7) Uani 1 1 d . . . C1A C 0.4820(4) 0.6589(4) 0.34566(18) 0.0283(8) Uani 1 1 d . . . H1AA H 0.5779 0.5640 0.3208 0.034 Uiso 1 1 calc R . . H1AB H 0.4242 0.6111 0.3850 0.034 Uiso 1 1 calc R . . C2A C 0.5556(4) 0.7958(4) 0.36957(19) 0.0315(8) Uani 1 1 d . . . H2AA H 0.6463 0.7419 0.3976 0.038 Uiso 1 1 calc R . . H2AB H 0.6138 0.8410 0.3296 0.038 Uiso 1 1 calc R . . C3A C 0.4205(4) 0.9445(4) 0.41004(17) 0.0265(7) Uani 1 1 d . . . H3AA H 0.3268 0.9945 0.3821 0.032 Uiso 1 1 calc R . . C4A C 0.4911(4) 1.0885(4) 0.43086(18) 0.0278(8) Uani 1 1 d . . . C5A C 0.3484(4) 1.2095(4) 0.48018(17) 0.0272(7) Uani 1 1 d . . . C6A C 0.2202(5) 1.1572(4) 0.51700(18) 0.0327(8) Uani 1 1 d . . . H6AA H 0.1253 1.2390 0.5441 0.039 Uiso 1 1 calc R . . C7A C 0.2255(5) 0.9788(5) 0.51572(19) 0.0347(8) Uani 1 1 d . . . C8A C 0.6524(5) 1.0212(5) 0.4678(2) 0.0399(9) Uani 1 1 d . . . H8AA H 0.6264 0.9451 0.5034 0.060 Uiso 1 1 calc R . . H8AB H 0.6783 1.1187 0.4882 0.060 Uiso 1 1 calc R . . H8AC H 0.7542 0.9572 0.4353 0.060 Uiso 1 1 calc R . . C9A C 0.5366(5) 1.1839(5) 0.36809(19) 0.0372(9) Uani 1 1 d . . . H9AA H 0.4336 1.2238 0.3453 0.056 Uiso 1 1 calc R . . H9AB H 0.6332 1.1061 0.3372 0.056 Uiso 1 1 calc R . . H9AC H 0.5722 1.2829 0.3816 0.056 Uiso 1 1 calc R . . C10A C 0.1336(5) 0.7856(5) 0.20531(19) 0.0360(9) Uani 1 1 d . . . C11A C 0.2481(6) 0.8636(7) 0.1558(3) 0.0771(17) Uani 1 1 d . . . H11D H 0.1737 0.9548 0.1322 0.116 Uiso 1 1 calc R . . H11E H 0.3241 0.7744 0.1228 0.116 Uiso 1 1 calc R . . H11F H 0.3206 0.9122 0.1804 0.116 Uiso 1 1 calc R . . C12A C 0.0066(5) 0.9281(5) 0.2533(2) 0.0518(11) Uani 1 1 d . . . H12D H -0.0669 1.0135 0.2272 0.078 Uiso 1 1 calc R . . H12E H 0.0733 0.9836 0.2781 0.078 Uiso 1 1 calc R . . H12F H -0.0680 0.8785 0.2855 0.078 Uiso 1 1 calc R . . C13A C 0.0280(7) 0.7030(6) 0.1654(3) 0.0654(15) Uani 1 1 d . . . H13D H -0.0428 0.7904 0.1392 0.098 Uiso 1 1 calc R . . H13E H -0.0494 0.6549 0.1969 0.098 Uiso 1 1 calc R . . H13F H 0.1086 0.6110 0.1347 0.098 Uiso 1 1 calc R . . C14A C 0.1212(4) 0.5286(4) 0.31674(19) 0.0281(8) Uani 1 1 d . . . C15A C 0.0731(4) 0.5908(5) 0.38376(19) 0.0363(9) Uani 1 1 d . . . H15B H 0.1195 0.6768 0.3987 0.044 Uiso 1 1 calc R . . C16A C -0.0399(5) 0.5310(6) 0.4289(2) 0.0468(11) Uani 1 1 d . . . H16B H -0.0710 0.5772 0.4741 0.056 Uiso 1 1 calc R . . C17A C -0.1086(5) 0.4060(6) 0.4097(3) 0.0562(13) Uani 1 1 d . . . H17B H -0.1844 0.3636 0.4416 0.067 Uiso 1 1 calc R . . C18A C -0.0664(5) 0.3428(5) 0.3439(3) 0.0616(15) Uani 1 1 d . . . H18B H -0.1145 0.2572 0.3299 0.074 Uiso 1 1 calc R . . C19A C 0.0479(5) 0.4043(5) 0.2970(2) 0.0465(11) Uani 1 1 d . . . H19B H 0.0753 0.3606 0.2514 0.056 Uiso 1 1 calc R . . C20A C 0.4531(5) 0.4550(5) 0.20542(19) 0.0301(8) Uani 1 1 d . . . C21A C 0.4562(5) 0.2851(5) 0.19454(19) 0.0361(9) Uani 1 1 d . . . H21B H 0.3590 0.2479 0.2141 0.043 Uiso 1 1 calc R . . C22A C 0.5996(5) 0.1687(5) 0.1554(2) 0.0404(9) Uani 1 1 d . . . H22B H 0.5991 0.0532 0.1486 0.048 Uiso 1 1 calc R . . C23A C 0.7425(5) 0.2197(5) 0.12648(19) 0.0410(9) Uani 1 1 d . . . H23B H 0.8396 0.1399 0.0997 0.049 Uiso 1 1 calc R . . C24A C 0.7436(5) 0.3864(5) 0.13663(19) 0.0418(10) Uani 1 1 d . . . H24B H 0.8413 0.4224 0.1168 0.050 Uiso 1 1 calc R . . C25A C 0.6006(5) 0.5026(5) 0.1763(2) 0.0405(10) Uani 1 1 d . . . H25B H 0.6034 0.6172 0.1837 0.049 Uiso 1 1 calc R . . O5 O 0.1358(3) 0.5905(3) 0.57477(14) 0.0302(5) Uani 1 1 d D . . H5Y H 0.167(5) 0.687(4) 0.5660(18) 0.036 Uiso 1 1 d D . . H5Z H 0.161(5) 0.577(5) 0.6169(14) 0.036 Uiso 1 1 d D . . loop_ _atom_site_aniso_label _atom_site_aniso_U_11 _atom_site_aniso_U_22 _atom_site_aniso_U_33 _atom_site_aniso_U_23 _atom_site_aniso_U_13 _atom_site_aniso_U_12 Si1 0.0236(5) 0.0301(5) 0.0298(6) 0.0019(4) -0.0071(4) -0.0064(4) O1 0.0216(12) 0.0358(14) 0.0349(15) 0.0000(11) -0.0032(11) -0.0094(11) O2 0.0174(11) 0.0365(14) 0.0385(14) 0.0057(11) -0.0047(10) -0.0065(10) O3 0.0191(12) 0.0388(14) 0.0458(15) 0.0043(12) -0.0075(11) -0.0117(11) O4 0.0285(14) 0.0694(19) 0.0483(17) 0.0210(15) -0.0050(12) -0.0191(14) C1 0.0191(16) 0.0307(19) 0.042(2) -0.0023(16) -0.0068(15) -0.0071(14) C2 0.0263(18) 0.0251(18) 0.051(2) 0.0025(17) -0.0142(17) -0.0071(15) C3 0.0235(17) 0.0238(17) 0.034(2) -0.0002(15) -0.0051(15) -0.0076(14) C4 0.0245(17) 0.0240(17) 0.042(2) 0.0033(15) -0.0119(16) -0.0088(14) C5 0.0209(17) 0.0305(19) 0.036(2) -0.0038(16) -0.0018(15) -0.0069(15) C6 0.0193(17) 0.039(2) 0.035(2) 0.0051(16) -0.0066(15) -0.0076(15) C7 0.0237(18) 0.039(2) 0.039(2) 0.0021(17) -0.0054(16) -0.0091(16) C8 0.034(2) 0.026(2) 0.074(3) -0.0044(19) -0.019(2) -0.0079(17) C9 0.0245(18) 0.044(2) 0.057(3) 0.017(2) -0.0108(18) -0.0151(17) C10 0.034(2) 0.040(2) 0.032(2) -0.0030(18) -0.0033(17) -0.0009(18) C11 0.060(3) 0.072(4) 0.089(4) 0.020(3) 0.037(3) 0.013(3) C12 0.041(2) 0.058(3) 0.054(3) -0.004(2) -0.007(2) 0.014(2) C13 0.059(3) 0.109(5) 0.100(4) -0.071(4) -0.035(3) 0.029(3) C14 0.0243(18) 0.0257(19) 0.045(2) 0.0030(16) -0.0112(17) -0.0020(15) C15 0.040(2) 0.0280(19) 0.036(2) -0.0033(16) -0.0042(17) -0.0083(17) C16 0.062(3) 0.0239(19) 0.042(2) -0.0042(17) 0.010(2) -0.0046(19) C17 0.036(2) 0.038(2) 0.089(4) 0.020(2) 0.009(2) -0.001(2) C18 0.044(3) 0.060(3) 0.131(5) 0.053(3) -0.044(3) -0.032(2) C19 0.055(3) 0.064(3) 0.078(4) 0.035(3) -0.039(3) -0.035(2) C20 0.0248(19) 0.039(2) 0.034(2) -0.0005(17) 0.0010(16) -0.0043(17) C21 0.040(2) 0.050(2) 0.054(3) 0.017(2) -0.018(2) -0.021(2) C22 0.038(2) 0.059(3) 0.065(3) 0.019(2) -0.028(2) -0.014(2) C23 0.038(2) 0.047(2) 0.043(2) 0.013(2) -0.0152(19) -0.0022(19) C24 0.041(2) 0.043(2) 0.050(3) 0.011(2) -0.008(2) -0.0089(19) C25 0.038(2) 0.044(2) 0.046(2) 0.0116(19) -0.0124(19) -0.0145(19) Si2 0.0239(5) 0.0258(5) 0.0315(6) -0.0014(4) -0.0039(4) -0.0066(4) O1A 0.0274(13) 0.0225(12) 0.0380(15) -0.0008(11) -0.0115(11) -0.0042(11) O2A 0.0328(13) 0.0202(12) 0.0386(14) 0.0024(10) -0.0017(11) -0.0069(10) O3A 0.0323(13) 0.0237(12) 0.0453(15) -0.0016(11) -0.0043(11) -0.0108(11) O4A 0.0692(19) 0.0366(15) 0.0472(17) 0.0061(13) 0.0105(15) -0.0268(15) C1A 0.0236(17) 0.0216(17) 0.038(2) -0.0009(15) -0.0072(15) -0.0035(14) C2A 0.0221(17) 0.0271(18) 0.046(2) -0.0024(16) -0.0088(16) -0.0059(14) C3A 0.0242(17) 0.0268(18) 0.0283(19) 0.0028(14) -0.0034(14) -0.0076(14) C4A 0.0211(17) 0.0257(18) 0.036(2) -0.0013(15) -0.0067(15) -0.0054(14) C5A 0.0285(18) 0.0237(18) 0.0317(19) 0.0046(14) -0.0119(15) -0.0077(14) C6A 0.035(2) 0.0248(18) 0.034(2) -0.0019(15) 0.0008(16) -0.0061(16) C7A 0.038(2) 0.0311(19) 0.034(2) 0.0038(17) -0.0025(17) -0.0103(17) C8A 0.030(2) 0.033(2) 0.061(3) -0.0013(19) -0.0227(19) -0.0074(17) C9A 0.035(2) 0.0307(19) 0.045(2) -0.0001(17) 0.0044(17) -0.0138(17) C10A 0.032(2) 0.045(2) 0.029(2) 0.0050(17) -0.0077(17) -0.0066(18) C11A 0.054(3) 0.079(4) 0.085(4) 0.051(3) -0.008(3) -0.001(3) C12A 0.048(2) 0.045(2) 0.050(3) 0.004(2) -0.013(2) 0.009(2) C13A 0.070(3) 0.061(3) 0.063(3) -0.006(3) -0.040(3) 0.000(3) C14A 0.0222(18) 0.0225(18) 0.039(2) 0.0038(15) -0.0059(15) -0.0049(15) C15A 0.0256(18) 0.046(2) 0.040(2) 0.0089(18) -0.0126(17) -0.0111(17) C16A 0.033(2) 0.067(3) 0.039(2) 0.021(2) -0.0090(18) -0.010(2) C17A 0.032(2) 0.048(3) 0.085(4) 0.030(3) -0.002(2) -0.010(2) C18A 0.028(2) 0.030(2) 0.124(5) -0.005(3) 0.009(3) -0.0145(19) C19A 0.030(2) 0.033(2) 0.073(3) -0.015(2) 0.002(2) -0.0073(18) C20A 0.0292(19) 0.031(2) 0.030(2) 0.0006(16) -0.0062(16) -0.0087(16) C21A 0.031(2) 0.034(2) 0.041(2) -0.0004(17) -0.0075(17) -0.0068(16) C22A 0.038(2) 0.032(2) 0.046(2) -0.0071(17) -0.0095(18) 0.0001(17) C23A 0.032(2) 0.047(2) 0.038(2) -0.0074(18) -0.0096(17) 0.0018(18) C24A 0.030(2) 0.050(3) 0.041(2) -0.0069(19) 0.0037(17) -0.0099(18) C25A 0.036(2) 0.033(2) 0.052(3) -0.0001(19) -0.0051(19) -0.0110(18) O5 0.0335(14) 0.0266(14) 0.0327(12) 0.0015(11) -0.0076(11) -0.0109(11) _geom_special_details ; All esds (except the esd in the dihedral angle between two l.s. planes) are estimated using the full covariance matrix. The cell esds are taken into account individually in the estimation of esds in distances, angles and torsion angles; correlations between esds in cell parameters are only used when they are defined by crystal symmetry. An approximate (isotropic) treatment of cell esds is used for estimating esds involving l.s. planes. ; loop_ _geom_bond_atom_site_label_1 _geom_bond_atom_site_label_2 _geom_bond_distance _geom_bond_site_symmetry_2 _geom_bond_publ_flag Si1 O1 1.640(2) . ? Si1 C14 1.864(4) . ? Si1 C20 1.875(4) . ? Si1 C10 1.876(4) . ? O1 C1 1.437(4) . ? O2 C7 1.356(4) . ? O2 C3 1.452(4) . ? O3 C5 1.342(4) . ? O4 C7 1.214(4) . ? C1 C2 1.513(4) . ? C1 H1A 0.9900 . ? C1 H1B 0.9900 . ? C2 C3 1.525(5) . ? C2 H2A 0.9900 . ? C2 H2B 0.9900 . ? C3 C4 1.535(4) . ? C3 H3A 1.0000 . ? C4 C5 1.496(5) . ? C4 C9 1.531(5) . ? C4 C8 1.541(5) . ? C5 C6 1.333(5) . ? C6 C7 1.445(5) . ? C6 H6A 0.9500 . ? C8 H8A 0.9800 . ? C8 H8B 0.9800 . ? C8 H8C 0.9800 . ? C9 H9A 0.9800 . ? C9 H9B 0.9800 . ? C9 H9C 0.9800 . ? C10 C13 1.518(6) . ? C10 C11 1.522(6) . ? C10 C12 1.526(5) . ? C11 H11A 0.9800 . ? C11 H11B 0.9800 . ? C11 H11C 0.9800 . ? C12 H12A 0.9800 . ? C12 H12B 0.9800 . ? C12 H12C 0.9800 . ? C13 H13A 0.9800 . ? C13 H13B 0.9800 . ? C13 H13C 0.9800 . ? C14 C15 1.389(5) . ? C14 C19 1.404(5) . ? C15 C16 1.381(5) . ? C15 H15A 0.9500 . ? C16 C17 1.370(6) . ? C16 H16A 0.9500 . ? C17 C18 1.375(7) . ? C17 H17A 0.9500 . ? C18 C19 1.367(7) . ? C18 H18A 0.9500 . ? C19 H19A 0.9500 . ? C20 C25 1.389(5) . ? C20 C21 1.401(5) . ? C21 C22 1.391(5) . ? C21 H21A 0.9500 . ? C22 C23 1.366(6) . ? C22 H22A 0.9500 . ? C23 C24 1.373(6) . ? C23 H23A 0.9500 . ? C24 C25 1.388(5) . ? C24 H24A 0.9500 . ? C25 H25A 0.9500 . ? Si2 O1A 1.642(2) . ? Si2 C14A 1.869(4) . ? Si2 C20A 1.877(4) . ? Si2 C10A 1.884(4) . ? O1A C1A 1.437(4) . ? O2A C7A 1.344(4) . ? O2A C3A 1.461(4) . ? O3A C5A 1.333(4) . ? O4A C7A 1.222(4) . ? C1A C2A 1.513(5) . ? C1A H1AA 0.9900 . ? C1A H1AB 0.9900 . ? C2A C3A 1.510(5) . ? C2A H2AA 0.9900 . ? C2A H2AB 0.9900 . ? C3A C4A 1.524(4) . ? C3A H3AA 1.0000 . ? C4A C5A 1.507(5) . ? C4A C9A 1.528(5) . ? C4A C8A 1.555(5) . ? C5A C6A 1.347(5) . ? C6A C7A 1.439(5) . ? C6A H6AA 0.9500 . ? C8A H8AA 0.9800 . ? C8A H8AB 0.9800 . ? C8A H8AC 0.9800 . ? C9A H9AA 0.9800 . ? C9A H9AB 0.9800 . ? C9A H9AC 0.9800 . ? C10A C11A 1.515(6) . ? C10A C12A 1.528(5) . ? C10A C13A 1.533(6) . ? C11A H11D 0.9800 . ? C11A H11E 0.9800 . ? C11A H11F 0.9800 . ? C12A H12D 0.9800 . ? C12A H12E 0.9800 . ? C12A H12F 0.9800 . ? C13A H13D 0.9800 . ? C13A H13E 0.9800 . ? C13A H13F 0.9800 . ? C14A C15A 1.392(5) . ? C14A C19A 1.394(5) . ? C15A C16A 1.373(5) . ? C15A H15B 0.9500 . ? C16A C17A 1.369(6) . ? C16A H16B 0.9500 . ? C17A C18A 1.372(7) . ? C17A H17B 0.9500 . ? C18A C19A 1.408(6) . ? C18A H18B 0.9500 . ? C19A H19B 0.9500 . ? C20A C21A 1.390(5) . ? C20A C25A 1.400(5) . ? C21A C22A 1.393(5) . ? C21A H21B 0.9500 . ? C22A C23A 1.381(5) . ? C22A H22B 0.9500 . ? C23A C24A 1.373(5) . ? C23A H23B 0.9500 . ? C24A C25A 1.396(5) . ? C24A H24B 0.9500 . ? C25A H25B 0.9500 . ? O5 H5Y 0.90(2) . ? O5 H5Z 0.90(2) . ? loop_ _geom_angle_atom_site_label_1 _geom_angle_atom_site_label_2 _geom_angle_atom_site_label_3 _geom_angle _geom_angle_site_symmetry_1 _geom_angle_site_symmetry_3 _geom_angle_publ_flag O1 Si1 C14 108.29(15) . . ? O1 Si1 C20 107.91(16) . . ? C14 Si1 C20 114.03(16) . . ? O1 Si1 C10 104.50(16) . . ? C14 Si1 C10 109.86(17) . . ? C20 Si1 C10 111.73(17) . . ? C1 O1 Si1 124.31(19) . . ? C7 O2 C3 117.7(2) . . ? O1 C1 C2 109.1(3) . . ? O1 C1 H1A 109.9 . . ? C2 C1 H1A 109.9 . . ? O1 C1 H1B 109.9 . . ? C2 C1 H1B 109.9 . . ? H1A C1 H1B 108.3 . . ? C1 C2 C3 113.8(3) . . ? C1 C2 H2A 108.8 . . ? C3 C2 H2A 108.8 . . ? C1 C2 H2B 108.8 . . ? C3 C2 H2B 108.8 . . ? H2A C2 H2B 107.7 . . ? O2 C3 C2 105.6(3) . . ? O2 C3 C4 111.8(3) . . ? C2 C3 C4 115.0(3) . . ? O2 C3 H3A 108.1 . . ? C2 C3 H3A 108.1 . . ? C4 C3 H3A 108.1 . . ? C5 C4 C9 110.4(3) . . ? C5 C4 C3 107.3(3) . . ? C9 C4 C3 108.2(3) . . ? C5 C4 C8 108.5(3) . . ? C9 C4 C8 110.2(3) . . ? C3 C4 C8 112.4(3) . . ? C6 C5 O3 123.9(3) . . ? C6 C5 C4 122.1(3) . . ? O3 C5 C4 113.9(3) . . ? C5 C6 C7 121.2(3) . . ? C5 C6 H6A 119.4 . . ? C7 C6 H6A 119.4 . . ? O4 C7 O2 117.9(3) . . ? O4 C7 C6 124.1(3) . . ? O2 C7 C6 118.0(3) . . ? C4 C8 H8A 109.5 . . ? C4 C8 H8B 109.5 . . ? H8A C8 H8B 109.5 . . ? C4 C8 H8C 109.5 . . ? H8A C8 H8C 109.5 . . ? H8B C8 H8C 109.5 . . ? C4 C9 H9A 109.5 . . ? C4 C9 H9B 109.5 . . ? H9A C9 H9B 109.5 . . ? C4 C9 H9C 109.5 . . ? H9A C9 H9C 109.5 . . ? H9B C9 H9C 109.5 . . ? C13 C10 C11 109.6(5) . . ? C13 C10 C12 108.3(4) . . ? C11 C10 C12 108.5(4) . . ? C13 C10 Si1 110.7(3) . . ? C11 C10 Si1 110.5(3) . . ? C12 C10 Si1 109.1(3) . . ? C10 C11 H11A 109.5 . . ? C10 C11 H11B 109.5 . . ? H11A C11 H11B 109.5 . . ? C10 C11 H11C 109.5 . . ? H11A C11 H11C 109.5 . . ? H11B C11 H11C 109.5 . . ? C10 C12 H12A 109.5 . . ? C10 C12 H12B 109.5 . . ? H12A C12 H12B 109.5 . . ? C10 C12 H12C 109.5 . . ? H12A C12 H12C 109.5 . . ? H12B C12 H12C 109.5 . . ? C10 C13 H13A 109.5 . . ? C10 C13 H13B 109.5 . . ? H13A C13 H13B 109.5 . . ? C10 C13 H13C 109.5 . . ? H13A C13 H13C 109.5 . . ? H13B C13 H13C 109.5 . . ? C15 C14 C19 115.7(4) . . ? C15 C14 Si1 118.4(3) . . ? C19 C14 Si1 125.9(3) . . ? C16 C15 C14 122.5(4) . . ? C16 C15 H15A 118.7 . . ? C14 C15 H15A 118.7 . . ? C17 C16 C15 119.8(4) . . ? C17 C16 H16A 120.1 . . ? C15 C16 H16A 120.1 . . ? C16 C17 C18 119.4(4) . . ? C16 C17 H17A 120.3 . . ? C18 C17 H17A 120.3 . . ? C19 C18 C17 120.5(4) . . ? C19 C18 H18A 119.7 . . ? C17 C18 H18A 119.7 . . ? C18 C19 C14 122.0(4) . . ? C18 C19 H19A 119.0 . . ? C14 C19 H19A 119.0 . . ? C25 C20 C21 116.1(4) . . ? C25 C20 Si1 118.9(3) . . ? C21 C20 Si1 124.9(3) . . ? C22 C21 C20 121.3(4) . . ? C22 C21 H21A 119.4 . . ? C20 C21 H21A 119.4 . . ? C23 C22 C21 120.8(4) . . ? C23 C22 H22A 119.6 . . ? C21 C22 H22A 119.6 . . ? C22 C23 C24 119.5(4) . . ? C22 C23 H23A 120.3 . . ? C24 C23 H23A 120.3 . . ? C23 C24 C25 119.8(4) . . ? C23 C24 H24A 120.1 . . ? C25 C24 H24A 120.1 . . ? C24 C25 C20 122.5(4) . . ? C24 C25 H25A 118.8 . . ? C20 C25 H25A 118.8 . . ? O1A Si2 C14A 109.04(15) . . ? O1A Si2 C20A 107.48(14) . . ? C14A Si2 C20A 113.00(16) . . ? O1A Si2 C10A 104.35(15) . . ? C14A Si2 C10A 109.39(16) . . ? C20A Si2 C10A 113.13(17) . . ? C1A O1A Si2 123.16(19) . . ? C7A O2A C3A 117.7(2) . . ? O1A C1A C2A 108.7(3) . . ? O1A C1A H1AA 110.0 . . ? C2A C1A H1AA 110.0 . . ? O1A C1A H1AB 110.0 . . ? C2A C1A H1AB 110.0 . . ? H1AA C1A H1AB 108.3 . . ? C3A C2A C1A 114.3(3) . . ? C3A C2A H2AA 108.7 . . ? C1A C2A H2AA 108.7 . . ? C3A C2A H2AB 108.7 . . ? C1A C2A H2AB 108.7 . . ? H2AA C2A H2AB 107.6 . . ? O2A C3A C2A 106.0(3) . . ? O2A C3A C4A 111.6(3) . . ? C2A C3A C4A 114.8(3) . . ? O2A C3A H3AA 108.0 . . ? C2A C3A H3AA 108.0 . . ? C4A C3A H3AA 108.0 . . ? C5A C4A C3A 107.7(3) . . ? C5A C4A C9A 109.8(3) . . ? C3A C4A C9A 109.0(3) . . ? C5A C4A C8A 107.0(3) . . ? C3A C4A C8A 112.4(3) . . ? C9A C4A C8A 110.9(3) . . ? O3A C5A C6A 123.9(3) . . ? O3A C5A C4A 114.5(3) . . ? C6A C5A C4A 121.6(3) . . ? C5A C6A C7A 120.6(3) . . ? C5A C6A H6AA 119.7 . . ? C7A C6A H6AA 119.7 . . ? O4A C7A O2A 117.8(3) . . ? O4A C7A C6A 123.4(3) . . ? O2A C7A C6A 118.8(3) . . ? C4A C8A H8AA 109.5 . . ? C4A C8A H8AB 109.5 . . ? H8AA C8A H8AB 109.5 . . ? C4A C8A H8AC 109.5 . . ? H8AA C8A H8AC 109.5 . . ? H8AB C8A H8AC 109.5 . . ? C4A C9A H9AA 109.5 . . ? C4A C9A H9AB 109.5 . . ? H9AA C9A H9AB 109.5 . . ? C4A C9A H9AC 109.5 . . ? H9AA C9A H9AC 109.5 . . ? H9AB C9A H9AC 109.5 . . ? C11A C10A C12A 109.0(4) . . ? C11A C10A C13A 108.5(4) . . ? C12A C10A C13A 109.0(3) . . ? C11A C10A Si2 111.4(3) . . ? C12A C10A Si2 108.0(3) . . ? C13A C10A Si2 110.9(3) . . ? C10A C11A H11D 109.5 . . ? C10A C11A H11E 109.5 . . ? H11D C11A H11E 109.5 . . ? C10A C11A H11F 109.5 . . ? H11D C11A H11F 109.5 . . ? H11E C11A H11F 109.5 . . ? C10A C12A H12D 109.5 . . ? C10A C12A H12E 109.5 . . ? H12D C12A H12E 109.5 . . ? C10A C12A H12F 109.5 . . ? H12D C12A H12F 109.5 . . ? H12E C12A H12F 109.5 . . ? C10A C13A H13D 109.5 . . ? C10A C13A H13E 109.5 . . ? H13D C13A H13E 109.5 . . ? C10A C13A H13F 109.5 . . ? H13D C13A H13F 109.5 . . ? H13E C13A H13F 109.5 . . ? C15A C14A C19A 117.2(3) . . ? C15A C14A Si2 118.9(3) . . ? C19A C14A Si2 123.8(3) . . ? C16A C15A C14A 121.6(4) . . ? C16A C15A H15B 119.2 . . ? C14A C15A H15B 119.2 . . ? C17A C16A C15A 121.2(4) . . ? C17A C16A H16B 119.4 . . ? C15A C16A H16B 119.4 . . ? C16A C17A C18A 119.1(4) . . ? C16A C17A H17B 120.5 . . ? C18A C17A H17B 120.5 . . ? C17A C18A C19A 120.3(4) . . ? C17A C18A H18B 119.8 . . ? C19A C18A H18B 119.8 . . ? C14A C19A C18A 120.6(4) . . ? C14A C19A H19B 119.7 . . ? C18A C19A H19B 119.7 . . ? C21A C20A C25A 117.2(3) . . ? C21A C20A Si2 124.9(3) . . ? C25A C20A Si2 117.9(3) . . ? C20A C21A C22A 121.0(4) . . ? C20A C21A H21B 119.5 . . ? C22A C21A H21B 119.5 . . ? C23A C22A C21A 120.6(4) . . ? C23A C22A H22B 119.7 . . ? C21A C22A H22B 119.7 . . ? C24A C23A C22A 119.7(4) . . ? C24A C23A H23B 120.1 . . ? C22A C23A H23B 120.1 . . ? C23A C24A C25A 119.7(4) . . ? C23A C24A H24B 120.1 . . ? C25A C24A H24B 120.1 . . ? C24A C25A C20A 121.8(4) . . ? C24A C25A H25B 119.1 . . ? C20A C25A H25B 119.1 . . ? H5Y O5 H5Z 98(3) . . ? loop_ _geom_torsion_atom_site_label_1 _geom_torsion_atom_site_label_2 _geom_torsion_atom_site_label_3 _geom_torsion_atom_site_label_4 _geom_torsion _geom_torsion_site_symmetry_1 _geom_torsion_site_symmetry_2 _geom_torsion_site_symmetry_3 _geom_torsion_site_symmetry_4 _geom_torsion_publ_flag C14 Si1 O1 C1 62.1(3) . . . . ? C20 Si1 O1 C1 -61.8(3) . . . . ? C10 Si1 O1 C1 179.1(3) . . . . ? Si1 O1 C1 C2 173.3(2) . . . . ? O1 C1 C2 C3 62.8(4) . . . . ? C7 O2 C3 C2 175.2(3) . . . . ? C7 O2 C3 C4 49.5(4) . . . . ? C1 C2 C3 O2 60.2(4) . . . . ? C1 C2 C3 C4 -176.1(3) . . . . ? O2 C3 C4 C5 -50.2(3) . . . . ? C2 C3 C4 C5 -170.5(3) . . . . ? O2 C3 C4 C9 -169.2(3) . . . . ? C2 C3 C4 C9 70.4(4) . . . . ? O2 C3 C4 C8 68.9(4) . . . . ? C2 C3 C4 C8 -51.4(4) . . . . ? C9 C4 C5 C6 143.0(3) . . . . ? C3 C4 C5 C6 25.4(4) . . . . ? C8 C4 C5 C6 -96.2(4) . . . . ? C9 C4 C5 O3 -39.9(4) . . . . ? C3 C4 C5 O3 -157.5(3) . . . . ? C8 C4 C5 O3 80.9(4) . . . . ? O3 C5 C6 C7 -172.4(3) . . . . ? C4 C5 C6 C7 4.4(5) . . . . ? C3 O2 C7 O4 164.7(3) . . . . ? C3 O2 C7 C6 -18.2(4) . . . . ? C5 C6 C7 O4 166.9(4) . . . . ? C5 C6 C7 O2 -10.0(5) . . . . ? O1 Si1 C10 C13 179.3(4) . . . . ? C14 Si1 C10 C13 -64.7(4) . . . . ? C20 Si1 C10 C13 62.9(4) . . . . ? O1 Si1 C10 C11 57.6(4) . . . . ? C14 Si1 C10 C11 173.6(3) . . . . ? C20 Si1 C10 C11 -58.8(4) . . . . ? O1 Si1 C10 C12 -61.6(3) . . . . ? C14 Si1 C10 C12 54.4(3) . . . . ? C20 Si1 C10 C12 -178.0(3) . . . . ? O1 Si1 C14 C15 21.5(3) . . . . ? C20 Si1 C14 C15 141.6(3) . . . . ? C10 Si1 C14 C15 -92.1(3) . . . . ? O1 Si1 C14 C19 -161.9(3) . . . . ? C20 Si1 C14 C19 -41.7(4) . . . . ? C10 Si1 C14 C19 84.6(4) . . . . ? C19 C14 C15 C16 0.3(5) . . . . ? Si1 C14 C15 C16 177.3(3) . . . . ? C14 C15 C16 C17 0.1(6) . . . . ? C15 C16 C17 C18 -0.8(6) . . . . ? C16 C17 C18 C19 1.2(7) . . . . ? C17 C18 C19 C14 -0.8(8) . . . . ? C15 C14 C19 C18 0.0(7) . . . . ? Si1 C14 C19 C18 -176.7(4) . . . . ? O1 Si1 C20 C25 -22.1(3) . . . . ? C14 Si1 C20 C25 -142.4(3) . . . . ? C10 Si1 C20 C25 92.3(3) . . . . ? O1 Si1 C20 C21 159.1(3) . . . . ? C14 Si1 C20 C21 38.8(4) . . . . ? C10 Si1 C20 C21 -86.6(4) . . . . ? C25 C20 C21 C22 -0.5(6) . . . . ? Si1 C20 C21 C22 178.3(3) . . . . ? C20 C21 C22 C23 0.9(7) . . . . ? C21 C22 C23 C24 -0.8(7) . . . . ? C22 C23 C24 C25 0.4(6) . . . . ? C23 C24 C25 C20 0.0(6) . . . . ? C21 C20 C25 C24 0.1(6) . . . . ? Si1 C20 C25 C24 -178.8(3) . . . . ? C14A Si2 O1A C1A 68.0(3) . . . . ? C20A Si2 O1A C1A -54.8(3) . . . . ? C10A Si2 O1A C1A -175.2(3) . . . . ? Si2 O1A C1A C2A 171.3(2) . . . . ? O1A C1A C2A C3A 61.4(4) . . . . ? C7A O2A C3A C2A 175.6(3) . . . . ? C7A O2A C3A C4A 49.9(4) . . . . ? C1A C2A C3A O2A 59.8(4) . . . . ? C1A C2A C3A C4A -176.5(3) . . . . ? O2A C3A C4A C5A -49.8(3) . . . . ? C2A C3A C4A C5A -170.5(3) . . . . ? O2A C3A C4A C9A -168.8(3) . . . . ? C2A C3A C4A C9A 70.5(4) . . . . ? O2A C3A C4A C8A 67.8(4) . . . . ? C2A C3A C4A C8A -52.9(4) . . . . ? C3A C4A C5A O3A -157.1(3) . . . . ? C9A C4A C5A O3A -38.6(4) . . . . ? C8A C4A C5A O3A 81.8(3) . . . . ? C3A C4A C5A C6A 23.9(4) . . . . ? C9A C4A C5A C6A 142.4(3) . . . . ? C8A C4A C5A C6A -97.2(4) . . . . ? O3A C5A C6A C7A -172.3(3) . . . . ? C4A C5A C6A C7A 6.6(5) . . . . ? C3A O2A C7A O4A 164.1(3) . . . . ? C3A O2A C7A C6A -18.1(4) . . . . ? C5A C6A C7A O4A 166.3(4) . . . . ? C5A C6A C7A O2A -11.3(5) . . . . ? O1A Si2 C10A C11A 64.3(4) . . . . ? C14A Si2 C10A C11A -179.1(3) . . . . ? C20A Si2 C10A C11A -52.2(4) . . . . ? O1A Si2 C10A C12A -55.4(3) . . . . ? C14A Si2 C10A C12A 61.2(3) . . . . ? C20A Si2 C10A C12A -171.9(3) . . . . ? O1A Si2 C10A C13A -174.7(3) . . . . ? C14A Si2 C10A C13A -58.1(3) . . . . ? C20A Si2 C10A C13A 68.8(3) . . . . ? O1A Si2 C14A C15A 14.0(3) . . . . ? C20A Si2 C14A C15A 133.5(3) . . . . ? C10A Si2 C14A C15A -99.5(3) . . . . ? O1A Si2 C14A C19A -169.3(3) . . . . ? C20A Si2 C14A C19A -49.9(4) . . . . ? C10A Si2 C14A C19A 77.1(3) . . . . ? C19A C14A C15A C16A 0.8(5) . . . . ? Si2 C14A C15A C16A 177.7(3) . . . . ? C14A C15A C16A C17A 0.7(6) . . . . ? C15A C16A C17A C18A -1.5(6) . . . . ? C16A C17A C18A C19A 0.9(7) . . . . ? C15A C14A C19A C18A -1.5(5) . . . . ? Si2 C14A C19A C18A -178.2(3) . . . . ? C17A C18A C19A C14A 0.7(6) . . . . ? O1A Si2 C20A C21A 138.9(3) . . . . ? C14A Si2 C20A C21A 18.5(4) . . . . ? C10A Si2 C20A C21A -106.5(3) . . . . ? O1A Si2 C20A C25A -39.6(3) . . . . ? C14A Si2 C20A C25A -159.9(3) . . . . ? C10A Si2 C20A C25A 75.1(3) . . . . ? C25A C20A C21A C22A -0.9(5) . . . . ? Si2 C20A C21A C22A -179.3(3) . . . . ? C20A C21A C22A C23A 0.0(6) . . . . ? C21A C22A C23A C24A 0.3(6) . . . . ? C22A C23A C24A C25A 0.2(6) . . . . ? C23A C24A C25A C20A -1.1(6) . . . . ? C21A C20A C25A C24A 1.4(6) . . . . ? Si2 C20A C25A C24A 180.0(3) . . . . ? loop_ _geom_hbond_atom_site_label_D _geom_hbond_atom_site_label_H _geom_hbond_atom_site_label_A _geom_hbond_distance_DH _geom_hbond_distance_HA _geom_hbond_distance_DA _geom_hbond_angle_DHA _geom_hbond_site_symmetry_A O5 H5Y O4A 0.90(2) 1.84(3) 2.685(4) 156(3) . O5 H5Z O3 0.90(2) 1.93(3) 2.665(3) 139(3) . _diffrn_measured_fraction_theta_max 0.989 _diffrn_reflns_theta_full 26.37 _diffrn_measured_fraction_theta_full 0.989 _refine_diff_density_max 0.349 _refine_diff_density_min -0.266 _refine_diff_density_rms 0.050