data_yl_9_128cope _audit_creation_method SHELXL-97 _chemical_name_systematic ; ? ; _chemical_name_common ? _chemical_melting_point ? _chemical_formula_moiety ? _chemical_formula_sum 'C25 H28 O3' _chemical_formula_weight 376.47 loop_ _atom_type_symbol _atom_type_description _atom_type_scat_dispersion_real _atom_type_scat_dispersion_imag _atom_type_scat_source 'C' 'C' 0.0181 0.0091 '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' 0.0492 0.0322 '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) _chemical_absolute_configuration ad loop_ _symmetry_equiv_pos_as_xyz 'x, y, z' '-x, y+1/2, -z' _cell_length_a 8.46960(10) _cell_length_b 8.2702(2) _cell_length_c 15.7541(3) _cell_angle_alpha 90.00 _cell_angle_beta 103.0450(10) _cell_angle_gamma 90.00 _cell_volume 1075.02(4) _cell_formula_units_Z 2 _cell_measurement_temperature 173(2) _cell_measurement_reflns_used 2283 _cell_measurement_theta_min 5.48 _cell_measurement_theta_max 69.18 _exptl_crystal_description rod _exptl_crystal_colour colourless _exptl_crystal_size_max 0.29 _exptl_crystal_size_mid 0.08 _exptl_crystal_size_min 0.07 _exptl_crystal_density_meas ? _exptl_crystal_density_diffrn 1.163 _exptl_crystal_density_method 'not measured' _exptl_crystal_F_000 404 _exptl_absorpt_coefficient_mu 0.591 _exptl_absorpt_correction_type multi-scan _exptl_absorpt_correction_T_min 0.8472 _exptl_absorpt_correction_T_max 0.9598 _exptl_absorpt_process_details sadabs _exptl_special_details ; ? ; _diffrn_ambient_temperature 173(2) _diffrn_radiation_wavelength 1.54178 _diffrn_radiation_type CuK\a _diffrn_radiation_source 'fine-focus sealed tube' _diffrn_radiation_monochromator graphite _diffrn_measurement_device_type 'Bruker APEX-II CCD' _diffrn_measurement_method '\f and \w scans' _diffrn_detector_area_resol_mean ? _diffrn_standards_number 0 _diffrn_standards_interval_count ? _diffrn_standards_interval_time ? _diffrn_standards_decay_% ? _diffrn_reflns_number 5719 _diffrn_reflns_av_R_equivalents 0.0143 _diffrn_reflns_av_sigmaI/netI 0.0203 _diffrn_reflns_limit_h_min -8 _diffrn_reflns_limit_h_max 10 _diffrn_reflns_limit_k_min -9 _diffrn_reflns_limit_k_max 8 _diffrn_reflns_limit_l_min -18 _diffrn_reflns_limit_l_max 18 _diffrn_reflns_theta_min 2.88 _diffrn_reflns_theta_max 69.41 _reflns_number_total 2970 _reflns_number_gt 2805 _reflns_threshold_expression >2sigma(I) _computing_data_collection 'Bruker APEX2' _computing_cell_refinement 'Bruker SAINT' _computing_data_reduction 'Bruker SAINT' _computing_structure_solution 'SHELXS-97 (Sheldrick, 1990)' _computing_structure_refinement 'SHELXL-97 (Sheldrick, 1997)' _computing_molecular_graphics 'Bruker SHELXTL' _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^)+(0.0520P)^2^+0.1070P] 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), Acta Cryst. A39, 876-881' _refine_ls_abs_structure_Flack 0.0(2) _refine_ls_number_reflns 2970 _refine_ls_number_parameters 253 _refine_ls_number_restraints 1 _refine_ls_R_factor_all 0.0343 _refine_ls_R_factor_gt 0.0320 _refine_ls_wR_factor_ref 0.0855 _refine_ls_wR_factor_gt 0.0834 _refine_ls_goodness_of_fit_ref 1.017 _refine_ls_restrained_S_all 1.017 _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 C1 C 1.4043(2) 0.6046(3) 0.85998(13) 0.0478(5) Uani 1 1 d . . . H1A H 1.4473 0.5356 0.8226 0.057 Uiso 1 1 calc R . . C2 C 1.4896(3) 0.7417(3) 0.89399(15) 0.0578(6) Uani 1 1 d . . . H2A H 1.5896 0.7663 0.8792 0.069 Uiso 1 1 calc R . . C3 C 1.4308(3) 0.8420(3) 0.94880(14) 0.0604(6) Uani 1 1 d . . . H3A H 1.4906 0.9349 0.9728 0.072 Uiso 1 1 calc R . . C4 C 1.2841(3) 0.8073(3) 0.96885(15) 0.0596(6) Uani 1 1 d . . . H4A H 1.2416 0.8773 1.0060 0.072 Uiso 1 1 calc R . . C5 C 1.1989(2) 0.6702(3) 0.93476(14) 0.0537(5) Uani 1 1 d . . . H5A H 1.0985 0.6467 0.9494 0.064 Uiso 1 1 calc R . . C6 C 1.2575(2) 0.5664(2) 0.87958(11) 0.0399(4) Uani 1 1 d . . . C7 C 1.1624(2) 0.4209(2) 0.83824(12) 0.0418(4) Uani 1 1 d . . . H7A H 1.2378 0.3525 0.8131 0.050 Uiso 1 1 calc R . . C8 C 1.0254(2) 0.4754(2) 0.76233(14) 0.0458(5) Uani 1 1 d . . . H8A H 0.9687 0.5685 0.7815 0.055 Uiso 1 1 calc R . . H8B H 1.0731 0.5126 0.7139 0.055 Uiso 1 1 calc R . . C9 C 0.9043(2) 0.3446(2) 0.72949(13) 0.0412(4) Uani 1 1 d . . . H9A H 0.8273 0.3636 0.6764 0.049 Uiso 1 1 calc R . . C10 C 0.8969(2) 0.2055(2) 0.76886(12) 0.0367(4) Uani 1 1 d . . . C11 C 1.0118(2) 0.1647(3) 0.85419(13) 0.0464(5) Uani 1 1 d . . . H11A H 1.0954 0.0888 0.8432 0.056 Uiso 1 1 calc R . . H11B H 0.9511 0.1098 0.8927 0.056 Uiso 1 1 calc R . . C12 C 1.0945(3) 0.3146(3) 0.90003(13) 0.0509(5) Uani 1 1 d . . . H12A H 1.0153 0.3774 0.9242 0.061 Uiso 1 1 calc R . . H12B H 1.1836 0.2812 0.9491 0.061 Uiso 1 1 calc R . . C13 C 0.7720(2) 0.0802(2) 0.72938(12) 0.0372(4) Uani 1 1 d . . . H13A H 0.6988 0.1273 0.6764 0.045 Uiso 1 1 calc R . . C14 C 0.8457(2) -0.0781(2) 0.70347(12) 0.0380(4) Uani 1 1 d . . . H14A H 0.8935 -0.1394 0.7579 0.046 Uiso 1 1 calc R . . C15 C 0.71372(19) -0.1802(2) 0.64851(13) 0.0391(4) Uani 1 1 d . . . H15A H 0.6720 -0.1464 0.5901 0.047 Uiso 1 1 calc R . . C16 C 0.6514(2) -0.3119(2) 0.67447(13) 0.0400(4) Uani 1 1 d . . . H16A H 0.6915 -0.3487 0.7325 0.048 Uiso 1 1 calc R . . C17 C 0.52157(19) -0.4044(2) 0.61666(12) 0.0378(4) Uani 1 1 d . . . C18 C 0.3380(3) -0.6205(3) 0.61112(15) 0.0641(7) Uani 1 1 d . . . H18A H 0.3053 -0.7006 0.6497 0.096 Uiso 1 1 calc R . . H18B H 0.3780 -0.6762 0.5652 0.096 Uiso 1 1 calc R . . H18C H 0.2447 -0.5532 0.5847 0.096 Uiso 1 1 calc R . . C19 C 0.9789(2) -0.0482(2) 0.65480(13) 0.0398(4) Uani 1 1 d . . . C20 C 1.1336(2) -0.1105(3) 0.68780(17) 0.0527(5) Uani 1 1 d . . . H20A H 1.1558 -0.1672 0.7416 0.063 Uiso 1 1 calc R . . C21 C 1.2542(3) -0.0907(3) 0.6431(2) 0.0684(7) Uani 1 1 d . . . H21A H 1.3595 -0.1325 0.6666 0.082 Uiso 1 1 calc R . . C22 C 1.2228(3) -0.0102(4) 0.5643(2) 0.0775(9) Uani 1 1 d . . . H22A H 1.3051 0.0000 0.5324 0.093 Uiso 1 1 calc R . . C23 C 1.0710(3) 0.0554(3) 0.53193(16) 0.0672(7) Uani 1 1 d . . . H23A H 1.0501 0.1136 0.4785 0.081 Uiso 1 1 calc R . . C24 C 0.9491(2) 0.0368(3) 0.57695(14) 0.0499(5) Uani 1 1 d . . . H24A H 0.8451 0.0824 0.5544 0.060 Uiso 1 1 calc R . . C25 C 0.5708(2) 0.1526(3) 0.80587(16) 0.0567(6) Uani 1 1 d . . . H25A H 0.5089 0.1115 0.8469 0.085 Uiso 1 1 calc R . . H25B H 0.4960 0.1843 0.7514 0.085 Uiso 1 1 calc R . . H25C H 0.6346 0.2466 0.8313 0.085 Uiso 1 1 calc R . . O1 O 0.46510(16) -0.51970(17) 0.66093(9) 0.0496(4) Uani 1 1 d . . . O2 O 0.47060(15) -0.38154(17) 0.53901(9) 0.0474(3) Uani 1 1 d . . . O3 O 0.67607(14) 0.03017(16) 0.78851(9) 0.0455(3) Uani 1 1 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 C1 0.0478(10) 0.0521(13) 0.0426(10) 0.0038(10) 0.0079(8) -0.0022(9) C2 0.0507(11) 0.0676(16) 0.0528(12) 0.0033(12) 0.0074(10) -0.0192(11) C3 0.0709(13) 0.0580(15) 0.0460(12) -0.0051(11) 0.0000(11) -0.0266(12) C4 0.0721(13) 0.0580(15) 0.0483(12) -0.0143(12) 0.0127(11) -0.0115(11) C5 0.0509(10) 0.0582(14) 0.0529(12) -0.0063(11) 0.0137(10) -0.0111(10) C6 0.0427(9) 0.0407(11) 0.0326(9) 0.0042(8) 0.0011(7) -0.0041(8) C7 0.0412(9) 0.0389(11) 0.0430(10) 0.0007(9) 0.0048(8) -0.0038(8) C8 0.0468(9) 0.0363(11) 0.0490(11) 0.0048(9) -0.0004(8) -0.0057(8) C9 0.0405(9) 0.0359(10) 0.0426(10) -0.0003(9) -0.0005(8) 0.0006(8) C10 0.0353(8) 0.0354(10) 0.0393(9) -0.0001(8) 0.0081(7) 0.0000(7) C11 0.0529(10) 0.0394(11) 0.0432(10) 0.0079(9) 0.0033(9) -0.0060(9) C12 0.0567(11) 0.0473(13) 0.0440(11) 0.0058(10) 0.0016(9) -0.0108(10) C13 0.0337(8) 0.0344(10) 0.0442(9) 0.0010(9) 0.0103(7) -0.0011(7) C14 0.0337(8) 0.0335(10) 0.0473(10) 0.0012(9) 0.0100(8) -0.0023(7) C15 0.0314(8) 0.0394(10) 0.0483(10) -0.0025(9) 0.0125(8) -0.0003(8) C16 0.0331(8) 0.0395(10) 0.0471(10) -0.0030(9) 0.0086(8) 0.0016(8) C17 0.0308(8) 0.0343(10) 0.0485(11) -0.0053(9) 0.0094(7) 0.0018(7) C18 0.0650(13) 0.0710(17) 0.0520(12) 0.0037(12) 0.0039(11) -0.0347(12) C19 0.0332(8) 0.0320(10) 0.0561(11) -0.0095(9) 0.0141(8) -0.0063(7) C20 0.0377(9) 0.0366(11) 0.0843(16) -0.0086(11) 0.0148(10) -0.0022(8) C21 0.0425(10) 0.0508(14) 0.120(2) -0.0211(16) 0.0351(13) -0.0049(10) C22 0.0640(15) 0.0752(18) 0.112(2) -0.0399(18) 0.0593(16) -0.0292(14) C23 0.0758(15) 0.0694(17) 0.0638(14) -0.0169(13) 0.0316(12) -0.0327(13) C24 0.0454(10) 0.0523(13) 0.0529(12) -0.0091(11) 0.0130(9) -0.0144(9) C25 0.0538(11) 0.0550(14) 0.0694(14) -0.0048(12) 0.0309(11) 0.0028(10) O1 0.0508(7) 0.0495(9) 0.0456(8) 0.0010(7) 0.0047(6) -0.0184(7) O2 0.0454(7) 0.0513(9) 0.0467(8) -0.0011(7) 0.0130(6) -0.0099(6) O3 0.0442(6) 0.0388(8) 0.0593(8) -0.0009(7) 0.0239(6) -0.0025(6) _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 C1 C6 1.384(3) . ? C1 C2 1.386(3) . ? C1 H1A 0.9500 . ? C2 C3 1.370(3) . ? C2 H2A 0.9500 . ? C3 C4 1.380(3) . ? C3 H3A 0.9500 . ? C4 C5 1.386(3) . ? C4 H4A 0.9500 . ? C5 C6 1.390(3) . ? C5 H5A 0.9500 . ? C6 C7 1.512(3) . ? C7 C12 1.518(3) . ? C7 C8 1.534(3) . ? C7 H7A 1.0000 . ? C8 C9 1.501(3) . ? C8 H8A 0.9900 . ? C8 H8B 0.9900 . ? C9 C10 1.315(3) . ? C9 H9A 0.9500 . ? C10 C11 1.509(3) . ? C10 C13 1.511(2) . ? C11 C12 1.523(3) . ? C11 H11A 0.9900 . ? C11 H11B 0.9900 . ? C12 H12A 0.9900 . ? C12 H12B 0.9900 . ? C13 O3 1.429(2) . ? C13 C14 1.544(2) . ? C13 H13A 1.0000 . ? C14 C15 1.508(2) . ? C14 C19 1.520(2) . ? C14 H14A 1.0000 . ? C15 C16 1.316(3) . ? C15 H15A 0.9500 . ? C16 C17 1.474(2) . ? C16 H16A 0.9500 . ? C17 O2 1.217(2) . ? C17 O1 1.332(2) . ? C18 O1 1.445(2) . ? C18 H18A 0.9800 . ? C18 H18B 0.9800 . ? C18 H18C 0.9800 . ? C19 C24 1.386(3) . ? C19 C20 1.395(3) . ? C20 C21 1.375(3) . ? C20 H20A 0.9500 . ? C21 C22 1.382(4) . ? C21 H21A 0.9500 . ? C22 C23 1.382(4) . ? C22 H22A 0.9500 . ? C23 C24 1.387(3) . ? C23 H23A 0.9500 . ? C24 H24A 0.9500 . ? C25 O3 1.416(2) . ? C25 H25A 0.9800 . ? C25 H25B 0.9800 . ? C25 H25C 0.9800 . ? 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 C6 C1 C2 121.1(2) . . ? C6 C1 H1A 119.4 . . ? C2 C1 H1A 119.4 . . ? C3 C2 C1 120.5(2) . . ? C3 C2 H2A 119.8 . . ? C1 C2 H2A 119.8 . . ? C2 C3 C4 119.5(2) . . ? C2 C3 H3A 120.2 . . ? C4 C3 H3A 120.2 . . ? C3 C4 C5 119.9(2) . . ? C3 C4 H4A 120.0 . . ? C5 C4 H4A 120.0 . . ? C4 C5 C6 121.27(19) . . ? C4 C5 H5A 119.4 . . ? C6 C5 H5A 119.4 . . ? C1 C6 C5 117.68(19) . . ? C1 C6 C7 120.23(17) . . ? C5 C6 C7 122.03(17) . . ? C6 C7 C12 115.27(16) . . ? C6 C7 C8 109.70(16) . . ? C12 C7 C8 109.95(15) . . ? C6 C7 H7A 107.2 . . ? C12 C7 H7A 107.2 . . ? C8 C7 H7A 107.2 . . ? C9 C8 C7 113.23(16) . . ? C9 C8 H8A 108.9 . . ? C7 C8 H8A 108.9 . . ? C9 C8 H8B 108.9 . . ? C7 C8 H8B 108.9 . . ? H8A C8 H8B 107.7 . . ? C10 C9 C8 124.73(17) . . ? C10 C9 H9A 117.6 . . ? C8 C9 H9A 117.6 . . ? C9 C10 C11 121.74(18) . . ? C9 C10 C13 120.60(17) . . ? C11 C10 C13 117.66(16) . . ? C10 C11 C12 112.04(17) . . ? C10 C11 H11A 109.2 . . ? C12 C11 H11A 109.2 . . ? C10 C11 H11B 109.2 . . ? C12 C11 H11B 109.2 . . ? H11A C11 H11B 107.9 . . ? C7 C12 C11 111.55(17) . . ? C7 C12 H12A 109.3 . . ? C11 C12 H12A 109.3 . . ? C7 C12 H12B 109.3 . . ? C11 C12 H12B 109.3 . . ? H12A C12 H12B 108.0 . . ? O3 C13 C10 112.26(15) . . ? O3 C13 C14 104.49(14) . . ? C10 C13 C14 113.74(13) . . ? O3 C13 H13A 108.7 . . ? C10 C13 H13A 108.7 . . ? C14 C13 H13A 108.7 . . ? C15 C14 C19 109.85(15) . . ? C15 C14 C13 109.56(13) . . ? C19 C14 C13 112.68(15) . . ? C15 C14 H14A 108.2 . . ? C19 C14 H14A 108.2 . . ? C13 C14 H14A 108.2 . . ? C16 C15 C14 125.62(18) . . ? C16 C15 H15A 117.2 . . ? C14 C15 H15A 117.2 . . ? C15 C16 C17 122.24(18) . . ? C15 C16 H16A 118.9 . . ? C17 C16 H16A 118.9 . . ? O2 C17 O1 123.36(17) . . ? O2 C17 C16 125.91(17) . . ? O1 C17 C16 110.73(15) . . ? O1 C18 H18A 109.5 . . ? O1 C18 H18B 109.5 . . ? H18A C18 H18B 109.5 . . ? O1 C18 H18C 109.5 . . ? H18A C18 H18C 109.5 . . ? H18B C18 H18C 109.5 . . ? C24 C19 C20 119.01(19) . . ? C24 C19 C14 121.42(16) . . ? C20 C19 C14 119.55(19) . . ? C21 C20 C19 120.6(2) . . ? C21 C20 H20A 119.7 . . ? C19 C20 H20A 119.7 . . ? C20 C21 C22 120.2(2) . . ? C20 C21 H21A 119.9 . . ? C22 C21 H21A 119.9 . . ? C21 C22 C23 119.7(2) . . ? C21 C22 H22A 120.2 . . ? C23 C22 H22A 120.2 . . ? C22 C23 C24 120.4(3) . . ? C22 C23 H23A 119.8 . . ? C24 C23 H23A 119.8 . . ? C19 C24 C23 120.1(2) . . ? C19 C24 H24A 120.0 . . ? C23 C24 H24A 120.0 . . ? O3 C25 H25A 109.5 . . ? O3 C25 H25B 109.5 . . ? H25A C25 H25B 109.5 . . ? O3 C25 H25C 109.5 . . ? H25A C25 H25C 109.5 . . ? H25B C25 H25C 109.5 . . ? C17 O1 C18 116.10(15) . . ? C25 O3 C13 113.24(15) . . ? 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 C6 C1 C2 C3 0.7(3) . . . . ? C1 C2 C3 C4 -1.2(3) . . . . ? C2 C3 C4 C5 1.1(4) . . . . ? C3 C4 C5 C6 -0.6(4) . . . . ? C2 C1 C6 C5 -0.2(3) . . . . ? C2 C1 C6 C7 176.94(18) . . . . ? C4 C5 C6 C1 0.1(3) . . . . ? C4 C5 C6 C7 -176.93(19) . . . . ? C1 C6 C7 C12 134.73(19) . . . . ? C5 C6 C7 C12 -48.3(3) . . . . ? C1 C6 C7 C8 -100.5(2) . . . . ? C5 C6 C7 C8 76.5(2) . . . . ? C6 C7 C8 C9 -167.97(17) . . . . ? C12 C7 C8 C9 -40.2(2) . . . . ? C7 C8 C9 C10 10.8(3) . . . . ? C8 C9 C10 C11 1.0(3) . . . . ? C8 C9 C10 C13 -178.81(18) . . . . ? C9 C10 C11 C12 17.6(3) . . . . ? C13 C10 C11 C12 -162.56(17) . . . . ? C6 C7 C12 C11 -175.70(16) . . . . ? C8 C7 C12 C11 59.7(2) . . . . ? C10 C11 C12 C7 -48.0(2) . . . . ? C9 C10 C13 O3 -125.49(19) . . . . ? C11 C10 C13 O3 54.7(2) . . . . ? C9 C10 C13 C14 116.1(2) . . . . ? C11 C10 C13 C14 -63.7(2) . . . . ? O3 C13 C14 C15 68.91(18) . . . . ? C10 C13 C14 C15 -168.34(15) . . . . ? O3 C13 C14 C19 -168.48(14) . . . . ? C10 C13 C14 C19 -45.7(2) . . . . ? C19 C14 C15 C16 129.77(19) . . . . ? C13 C14 C15 C16 -106.0(2) . . . . ? C14 C15 C16 C17 179.59(16) . . . . ? C15 C16 C17 O2 8.1(3) . . . . ? C15 C16 C17 O1 -172.00(17) . . . . ? C15 C14 C19 C24 63.0(2) . . . . ? C13 C14 C19 C24 -59.4(2) . . . . ? C15 C14 C19 C20 -115.46(19) . . . . ? C13 C14 C19 C20 122.10(18) . . . . ? C24 C19 C20 C21 -1.2(3) . . . . ? C14 C19 C20 C21 177.33(19) . . . . ? C19 C20 C21 C22 -0.8(3) . . . . ? C20 C21 C22 C23 2.3(4) . . . . ? C21 C22 C23 C24 -1.8(4) . . . . ? C20 C19 C24 C23 1.6(3) . . . . ? C14 C19 C24 C23 -176.9(2) . . . . ? C22 C23 C24 C19 -0.1(3) . . . . ? O2 C17 O1 C18 0.6(3) . . . . ? C16 C17 O1 C18 -179.30(17) . . . . ? C10 C13 O3 C25 68.91(19) . . . . ? C14 C13 O3 C25 -167.38(15) . . . . ? _diffrn_measured_fraction_theta_max 0.937 _diffrn_reflns_theta_full 69.41 _diffrn_measured_fraction_theta_full 0.937 _refine_diff_density_max 0.107 _refine_diff_density_min -0.148 _refine_diff_density_rms 0.028