data_07054 _audit_creation_method SHELXL-97 _chemical_name_systematic ; ? ; _chemical_name_common 07054 _chemical_melting_point ? _chemical_formula_moiety 'C25 H23 N O2' _chemical_formula_sum 'C25 H23 N O2' _chemical_formula_weight 369.44 _chemical_absolute_configuration unk 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 0.0000 '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' 'N' 'N' 0.0061 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' 'O' 'O' 0.0106 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' _symmetry_cell_setting Monoclinic _symmetry_space_group_name_H-M P2(1) loop_ _symmetry_equiv_pos_as_xyz 'x, y, z' '-x, y+1/2, -z' _cell_length_a 8.5000(8) _cell_length_b 10.8183(11) _cell_length_c 11.1606(11) _cell_angle_alpha 90.00 _cell_angle_beta 106.575(2) _cell_angle_gamma 90.00 _cell_volume 983.63(17) _cell_formula_units_Z 2 _cell_measurement_temperature 173(2) _cell_measurement_reflns_used 3207 _cell_measurement_theta_min 2.68 _cell_measurement_theta_max 27.38 _exptl_crystal_description rod _exptl_crystal_colour colorless _exptl_crystal_size_max 0.70 _exptl_crystal_size_mid 0.25 _exptl_crystal_size_min 0.25 _exptl_crystal_density_meas 0 _exptl_crystal_density_diffrn 1.247 _exptl_crystal_density_method 'not measured' _exptl_crystal_F_000 392 _exptl_absorpt_coefficient_mu 0.079 _exptl_absorpt_correction_type 'multi-scan' _exptl_absorpt_correction_T_min 0.9470 _exptl_absorpt_correction_T_max 0.9806 _exptl_absorpt_process_details 'SADABS, R. Blessing, 1995' _exptl_special_details ; ? ; _diffrn_ambient_temperature 173(2) _diffrn_radiation_wavelength 0.71073 _diffrn_radiation_type MoK\a _diffrn_radiation_source 'normal-focus sealed tube' _diffrn_radiation_monochromator graphite _diffrn_measurement_device_type 'Bruker SMART Platform CCD' _diffrn_measurement_method 'area detector, omega scans per phi' _diffrn_detector_area_resol_mean ? _diffrn_standards_number ? _diffrn_standards_interval_count ? _diffrn_standards_interval_time ? _diffrn_standards_decay_% ? _diffrn_reflns_number 11592 _diffrn_reflns_av_R_equivalents 0.0268 _diffrn_reflns_av_sigmaI/netI 0.0181 _diffrn_reflns_limit_h_min -11 _diffrn_reflns_limit_h_max 10 _diffrn_reflns_limit_k_min -14 _diffrn_reflns_limit_k_max 14 _diffrn_reflns_limit_l_min -14 _diffrn_reflns_limit_l_max 14 _diffrn_reflns_theta_min 1.90 _diffrn_reflns_theta_max 27.47 _reflns_number_total 2351 _reflns_number_gt 2236 _reflns_threshold_expression >2sigma(I) _computing_data_collection 'SMART, Bruker' _computing_cell_refinement 'SAINT, Bruker' _computing_data_reduction 'SAINT, Bruker' _computing_structure_solution 'SHELXS-97 (Sheldrick, 1990)' _computing_structure_refinement 'SHELXL-97 (Sheldrick, 1997)' _computing_molecular_graphics 'SHELXLT, Bruker' _computing_publication_material 'Bruker SHELXTL' _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^)+(0.0465P)^2^+0.1778P] 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 constr _refine_ls_extinction_method none _refine_ls_extinction_coef ? _refine_ls_abs_structure_details 'Flack H D (1983), 2064 Friedel Pairs, Acta Cryst. A39, 876-881' _refine_ls_abs_structure_Flack 0(10) _refine_ls_number_reflns 2351 _refine_ls_number_parameters 254 _refine_ls_number_restraints 1 _refine_ls_R_factor_all 0.0329 _refine_ls_R_factor_gt 0.0304 _refine_ls_wR_factor_ref 0.0809 _refine_ls_wR_factor_gt 0.0782 _refine_ls_goodness_of_fit_ref 1.013 _refine_ls_restrained_S_all 1.013 _refine_ls_shift/su_max 0.000 _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 O1 O 0.62001(14) 0.40931(13) 0.51787(10) 0.0272(3) Uani 1 1 d . . . O2 O 0.37001(15) 0.32689(13) 0.12557(12) 0.0343(3) Uani 1 1 d . . . N1 N 0.47183(18) 0.52227(14) 0.11451(13) 0.0279(3) Uani 1 1 d . . . C1 C 0.4630(2) 0.41082(18) 0.16959(15) 0.0253(3) Uani 1 1 d . . . C2 C 0.59425(19) 0.41083(16) 0.29991(14) 0.0216(3) Uani 1 1 d . . . C3 C 0.6693(2) 0.53824(15) 0.30264(15) 0.0223(3) Uani 1 1 d . . . C4 C 0.7936(2) 0.59579(17) 0.39225(16) 0.0273(4) Uani 1 1 d . . . H4 H 0.8463 0.5552 0.4686 0.033 Uiso 1 1 calc R . . C5 C 0.8403(2) 0.71493(19) 0.36860(18) 0.0332(4) Uani 1 1 d . . . H5 H 0.9256 0.7560 0.4294 0.040 Uiso 1 1 calc R . . C6 C 0.7632(2) 0.77361(18) 0.25702(19) 0.0350(4) Uani 1 1 d . . . H6 H 0.7973 0.8544 0.2423 0.042 Uiso 1 1 calc R . . C7 C 0.6372(2) 0.71717(18) 0.16596(17) 0.0324(4) Uani 1 1 d . . . H7 H 0.5840 0.7579 0.0898 0.039 Uiso 1 1 calc R . . C8 C 0.5927(2) 0.59905(17) 0.19101(15) 0.0250(3) Uani 1 1 d . . . C9 C 0.3617(2) 0.5603(2) -0.00489(17) 0.0396(5) Uani 1 1 d . . . H9A H 0.2889 0.4914 -0.0416 0.059 Uiso 1 1 calc R . . H9B H 0.4260 0.5842 -0.0614 0.059 Uiso 1 1 calc R . . H9C H 0.2958 0.6308 0.0078 0.059 Uiso 1 1 calc R . . C10 C 0.71601(19) 0.30670(16) 0.30118(14) 0.0221(3) Uani 1 1 d . . . C11 C 0.7226(2) 0.19827(17) 0.36832(15) 0.0261(3) Uani 1 1 d . . . H11 H 0.6521 0.1878 0.4200 0.031 Uiso 1 1 calc R . . C12 C 0.8320(2) 0.10411(18) 0.36085(16) 0.0287(4) Uani 1 1 d . . . H12 H 0.8346 0.0300 0.4071 0.034 Uiso 1 1 calc R . . C13 C 0.9365(2) 0.11785(17) 0.28669(16) 0.0286(4) Uani 1 1 d . . . H13 H 1.0114 0.0540 0.2824 0.034 Uiso 1 1 calc R . . C14 C 0.9307(2) 0.22582(18) 0.21888(17) 0.0309(4) Uani 1 1 d . . . H14 H 1.0017 0.2361 0.1675 0.037 Uiso 1 1 calc R . . C15 C 0.8216(2) 0.31891(18) 0.22573(16) 0.0283(3) Uani 1 1 d . . . H15 H 0.8184 0.3924 0.1784 0.034 Uiso 1 1 calc R . . C16 C 0.50035(19) 0.39747(16) 0.39931(15) 0.0233(3) Uani 1 1 d . . . H16 H 0.4496 0.3134 0.3925 0.028 Uiso 1 1 calc R . . C17 C 0.3675(2) 0.49418(18) 0.38152(17) 0.0299(4) Uani 1 1 d . . . H17 H 0.4000 0.5785 0.3889 0.036 Uiso 1 1 calc R . . C18 C 0.2115(2) 0.4698(2) 0.3568(2) 0.0424(5) Uani 1 1 d . . . H18A H 0.1747 0.3865 0.3488 0.051 Uiso 1 1 calc R . . H18B H 0.1344 0.5353 0.3467 0.051 Uiso 1 1 calc R . . C19 C 0.5552(2) 0.37996(18) 0.61978(16) 0.0304(4) Uani 1 1 d . . . H19A H 0.5229 0.2918 0.6157 0.036 Uiso 1 1 calc R . . H19B H 0.4567 0.4309 0.6147 0.036 Uiso 1 1 calc R . . C20 C 0.6853(2) 0.40560(18) 0.74066(15) 0.0268(3) Uani 1 1 d . . . C21 C 0.6793(2) 0.51295(19) 0.80707(17) 0.0326(4) Uani 1 1 d . . . H21 H 0.5931 0.5705 0.7756 0.039 Uiso 1 1 calc R . . C22 C 0.7980(2) 0.5374(2) 0.91908(18) 0.0397(5) Uani 1 1 d . . . H22 H 0.7916 0.6106 0.9644 0.048 Uiso 1 1 calc R . . C23 C 0.9249(2) 0.4551(2) 0.96430(19) 0.0428(5) Uani 1 1 d . . . H23 H 1.0061 0.4717 1.0409 0.051 Uiso 1 1 calc R . . C24 C 0.9339(3) 0.3488(2) 0.8984(2) 0.0438(5) Uani 1 1 d . . . H24 H 1.0223 0.2927 0.9290 0.053 Uiso 1 1 calc R . . C25 C 0.8138(2) 0.3235(2) 0.78699(18) 0.0366(4) Uani 1 1 d . . . H25 H 0.8197 0.2496 0.7425 0.044 Uiso 1 1 calc R . . 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 O1 0.0257(6) 0.0363(7) 0.0210(5) -0.0008(5) 0.0089(4) -0.0041(5) O2 0.0330(6) 0.0349(7) 0.0312(6) -0.0069(6) 0.0029(5) -0.0068(6) N1 0.0282(7) 0.0319(8) 0.0216(6) 0.0012(6) 0.0040(5) 0.0018(6) C1 0.0244(7) 0.0296(8) 0.0214(7) -0.0024(7) 0.0060(6) 0.0018(7) C2 0.0218(7) 0.0231(7) 0.0197(7) -0.0001(6) 0.0054(6) -0.0011(6) C3 0.0238(7) 0.0216(8) 0.0236(7) 0.0001(6) 0.0099(6) 0.0001(6) C4 0.0242(8) 0.0299(9) 0.0278(8) -0.0013(7) 0.0073(6) -0.0014(7) C5 0.0311(9) 0.0307(10) 0.0391(10) -0.0084(8) 0.0121(8) -0.0082(8) C6 0.0428(10) 0.0240(8) 0.0449(11) 0.0006(8) 0.0232(9) -0.0034(8) C7 0.0406(10) 0.0281(9) 0.0319(9) 0.0074(8) 0.0158(7) 0.0042(8) C8 0.0263(8) 0.0275(8) 0.0227(7) 0.0006(6) 0.0092(6) 0.0037(7) C9 0.0365(10) 0.0510(12) 0.0257(9) 0.0077(9) 0.0000(7) 0.0035(9) C10 0.0232(7) 0.0223(8) 0.0205(7) -0.0034(6) 0.0060(6) -0.0024(6) C11 0.0261(8) 0.0283(8) 0.0252(8) 0.0016(7) 0.0096(6) 0.0003(7) C12 0.0327(9) 0.0240(8) 0.0289(9) 0.0022(7) 0.0082(7) 0.0015(7) C13 0.0258(8) 0.0296(9) 0.0284(8) -0.0060(7) 0.0046(6) 0.0040(7) C14 0.0314(8) 0.0349(10) 0.0303(9) -0.0044(8) 0.0152(7) -0.0009(8) C15 0.0336(9) 0.0263(8) 0.0279(8) 0.0010(7) 0.0133(7) -0.0010(7) C16 0.0223(7) 0.0255(8) 0.0226(7) -0.0016(6) 0.0073(6) -0.0018(6) C17 0.0315(9) 0.0298(9) 0.0311(8) 0.0000(7) 0.0131(7) 0.0044(7) C18 0.0287(9) 0.0496(13) 0.0480(12) -0.0057(10) 0.0095(8) 0.0063(9) C19 0.0304(8) 0.0382(10) 0.0253(8) -0.0004(7) 0.0123(7) -0.0043(7) C20 0.0295(8) 0.0312(9) 0.0231(7) 0.0026(7) 0.0131(6) -0.0024(7) C21 0.0346(9) 0.0341(10) 0.0318(9) 0.0008(8) 0.0139(7) 0.0037(8) C22 0.0434(11) 0.0475(12) 0.0317(9) -0.0105(9) 0.0165(8) -0.0095(9) C23 0.0354(10) 0.0704(15) 0.0230(8) 0.0054(9) 0.0091(7) -0.0099(10) C24 0.0367(10) 0.0558(14) 0.0396(10) 0.0195(10) 0.0118(8) 0.0102(10) C25 0.0418(10) 0.0329(10) 0.0377(10) 0.0051(9) 0.0155(8) 0.0060(9) _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 O1 C16 1.4262(19) . ? O1 C19 1.4338(19) . ? O2 C1 1.212(2) . ? N1 C1 1.365(2) . ? N1 C8 1.405(2) . ? N1 C9 1.452(2) . ? C1 C2 1.560(2) . ? C2 C3 1.516(2) . ? C2 C10 1.527(2) . ? C2 C16 1.547(2) . ? C3 C4 1.379(2) . ? C3 C8 1.395(2) . ? C4 C5 1.396(3) . ? C4 H4 0.9500 . ? C5 C6 1.385(3) . ? C5 H5 0.9500 . ? C6 C7 1.390(3) . ? C6 H6 0.9500 . ? C7 C8 1.384(3) . ? C7 H7 0.9500 . ? C9 H9A 0.9800 . ? C9 H9B 0.9800 . ? C9 H9C 0.9800 . ? C10 C11 1.384(2) . ? C10 C15 1.401(2) . ? C11 C12 1.397(3) . ? C11 H11 0.9500 . ? C12 C13 1.384(3) . ? C12 H12 0.9500 . ? C13 C14 1.385(3) . ? C13 H13 0.9500 . ? C14 C15 1.386(3) . ? C14 H14 0.9500 . ? C15 H15 0.9500 . ? C16 C17 1.510(2) . ? C16 H16 1.0000 . ? C17 C18 1.303(3) . ? C17 H17 0.9500 . ? C18 H18A 0.9500 . ? C18 H18B 0.9500 . ? C19 C20 1.506(2) . ? C19 H19A 0.9900 . ? C19 H19B 0.9900 . ? C20 C21 1.386(3) . ? C20 C25 1.388(3) . ? C21 C22 1.389(3) . ? C21 H21 0.9500 . ? C22 C23 1.378(3) . ? C22 H22 0.9500 . ? C23 C24 1.380(4) . ? C23 H23 0.9500 . ? C24 C25 1.392(3) . ? C24 H24 0.9500 . ? C25 H25 0.9500 . ? 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 C16 O1 C19 112.48(12) . . ? C1 N1 C8 111.90(13) . . ? C1 N1 C9 124.00(16) . . ? C8 N1 C9 123.96(16) . . ? O2 C1 N1 126.32(15) . . ? O2 C1 C2 126.02(16) . . ? N1 C1 C2 107.65(14) . . ? C3 C2 C10 112.98(12) . . ? C3 C2 C16 111.77(13) . . ? C10 C2 C16 114.29(13) . . ? C3 C2 C1 101.75(13) . . ? C10 C2 C1 108.13(13) . . ? C16 C2 C1 106.89(12) . . ? C4 C3 C8 120.05(16) . . ? C4 C3 C2 131.02(15) . . ? C8 C3 C2 108.93(14) . . ? C3 C4 C5 118.71(17) . . ? C3 C4 H4 120.6 . . ? C5 C4 H4 120.6 . . ? C6 C5 C4 120.40(17) . . ? C6 C5 H5 119.8 . . ? C4 C5 H5 119.8 . . ? C5 C6 C7 121.63(18) . . ? C5 C6 H6 119.2 . . ? C7 C6 H6 119.2 . . ? C8 C7 C6 117.14(17) . . ? C8 C7 H7 121.4 . . ? C6 C7 H7 121.4 . . ? C7 C8 C3 122.08(16) . . ? C7 C8 N1 128.16(16) . . ? C3 C8 N1 109.76(15) . . ? N1 C9 H9A 109.5 . . ? N1 C9 H9B 109.5 . . ? H9A C9 H9B 109.5 . . ? N1 C9 H9C 109.5 . . ? H9A C9 H9C 109.5 . . ? H9B C9 H9C 109.5 . . ? C11 C10 C15 118.11(15) . . ? C11 C10 C2 123.56(14) . . ? C15 C10 C2 118.26(15) . . ? C10 C11 C12 120.69(15) . . ? C10 C11 H11 119.7 . . ? C12 C11 H11 119.7 . . ? C13 C12 C11 120.58(17) . . ? C13 C12 H12 119.7 . . ? C11 C12 H12 119.7 . . ? C12 C13 C14 119.23(16) . . ? C12 C13 H13 120.4 . . ? C14 C13 H13 120.4 . . ? C13 C14 C15 120.20(16) . . ? C13 C14 H14 119.9 . . ? C15 C14 H14 119.9 . . ? C14 C15 C10 121.19(16) . . ? C14 C15 H15 119.4 . . ? C10 C15 H15 119.4 . . ? O1 C16 C17 111.61(14) . . ? O1 C16 C2 106.24(12) . . ? C17 C16 C2 111.11(14) . . ? O1 C16 H16 109.3 . . ? C17 C16 H16 109.3 . . ? C2 C16 H16 109.3 . . ? C18 C17 C16 124.43(19) . . ? C18 C17 H17 117.8 . . ? C16 C17 H17 117.8 . . ? C17 C18 H18A 120.0 . . ? C17 C18 H18B 120.0 . . ? H18A C18 H18B 120.0 . . ? O1 C19 C20 108.64(13) . . ? O1 C19 H19A 110.0 . . ? C20 C19 H19A 110.0 . . ? O1 C19 H19B 110.0 . . ? C20 C19 H19B 110.0 . . ? H19A C19 H19B 108.3 . . ? C21 C20 C25 118.81(17) . . ? C21 C20 C19 120.24(16) . . ? C25 C20 C19 120.95(17) . . ? C20 C21 C22 120.82(18) . . ? C20 C21 H21 119.6 . . ? C22 C21 H21 119.6 . . ? C23 C22 C21 119.9(2) . . ? C23 C22 H22 120.1 . . ? C21 C22 H22 120.1 . . ? C22 C23 C24 120.00(19) . . ? C22 C23 H23 120.0 . . ? C24 C23 H23 120.0 . . ? C23 C24 C25 120.1(2) . . ? C23 C24 H24 119.9 . . ? C25 C24 H24 119.9 . . ? C20 C25 C24 120.4(2) . . ? C20 C25 H25 119.8 . . ? C24 C25 H25 119.8 . . ? 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 C8 N1 C1 O2 179.75(16) . . . . ? C9 N1 C1 O2 3.9(3) . . . . ? C8 N1 C1 C2 -0.15(18) . . . . ? C9 N1 C1 C2 -176.03(16) . . . . ? O2 C1 C2 C3 -179.58(16) . . . . ? N1 C1 C2 C3 0.32(16) . . . . ? O2 C1 C2 C10 61.2(2) . . . . ? N1 C1 C2 C10 -118.87(15) . . . . ? O2 C1 C2 C16 -62.2(2) . . . . ? N1 C1 C2 C16 117.65(15) . . . . ? C10 C2 C3 C4 -63.8(2) . . . . ? C16 C2 C3 C4 66.8(2) . . . . ? C1 C2 C3 C4 -179.48(17) . . . . ? C10 C2 C3 C8 115.29(14) . . . . ? C16 C2 C3 C8 -114.13(15) . . . . ? C1 C2 C3 C8 -0.39(16) . . . . ? C8 C3 C4 C5 -0.1(2) . . . . ? C2 C3 C4 C5 178.90(16) . . . . ? C3 C4 C5 C6 -0.1(3) . . . . ? C4 C5 C6 C7 0.5(3) . . . . ? C5 C6 C7 C8 -0.5(3) . . . . ? C6 C7 C8 C3 0.3(2) . . . . ? C6 C7 C8 N1 -179.13(17) . . . . ? C4 C3 C8 C7 0.0(2) . . . . ? C2 C3 C8 C7 -179.17(15) . . . . ? C4 C3 C8 N1 179.54(15) . . . . ? C2 C3 C8 N1 0.34(18) . . . . ? C1 N1 C8 C7 179.35(17) . . . . ? C9 N1 C8 C7 -4.8(3) . . . . ? C1 N1 C8 C3 -0.12(19) . . . . ? C9 N1 C8 C3 175.77(16) . . . . ? C3 C2 C10 C11 140.51(16) . . . . ? C16 C2 C10 C11 11.2(2) . . . . ? C1 C2 C10 C11 -107.67(17) . . . . ? C3 C2 C10 C15 -42.61(19) . . . . ? C16 C2 C10 C15 -171.91(14) . . . . ? C1 C2 C10 C15 69.21(18) . . . . ? C15 C10 C11 C12 0.1(2) . . . . ? C2 C10 C11 C12 176.99(15) . . . . ? C10 C11 C12 C13 0.4(3) . . . . ? C11 C12 C13 C14 -0.5(3) . . . . ? C12 C13 C14 C15 0.2(3) . . . . ? C13 C14 C15 C10 0.3(3) . . . . ? C11 C10 C15 C14 -0.5(2) . . . . ? C2 C10 C15 C14 -177.52(15) . . . . ? C19 O1 C16 C17 67.76(18) . . . . ? C19 O1 C16 C2 -170.98(14) . . . . ? C3 C2 C16 O1 -64.15(17) . . . . ? C10 C2 C16 O1 65.75(17) . . . . ? C1 C2 C16 O1 -174.66(13) . . . . ? C3 C2 C16 C17 57.43(17) . . . . ? C10 C2 C16 C17 -172.68(14) . . . . ? C1 C2 C16 C17 -53.09(18) . . . . ? O1 C16 C17 C18 -123.2(2) . . . . ? C2 C16 C17 C18 118.4(2) . . . . ? C16 O1 C19 C20 -175.16(14) . . . . ? O1 C19 C20 C21 101.16(18) . . . . ? O1 C19 C20 C25 -78.2(2) . . . . ? C25 C20 C21 C22 -1.1(3) . . . . ? C19 C20 C21 C22 179.59(17) . . . . ? C20 C21 C22 C23 1.0(3) . . . . ? C21 C22 C23 C24 0.0(3) . . . . ? C22 C23 C24 C25 -0.9(3) . . . . ? C21 C20 C25 C24 0.2(3) . . . . ? C19 C20 C25 C24 179.51(17) . . . . ? C23 C24 C25 C20 0.8(3) . . . . ? _diffrn_measured_fraction_theta_max 0.994 _diffrn_reflns_theta_full 27.47 _diffrn_measured_fraction_theta_full 0.994 _refine_diff_density_max 0.222 _refine_diff_density_min -0.186 _refine_diff_density_rms 0.032