data_xb0554_0m _audit_creation_method SHELXL-97 _chemical_name_systematic ; ? ; _chemical_name_common ? _chemical_melting_point ? _chemical_formula_moiety ? _chemical_formula_sum 'C26 H20 O2' _chemical_formula_weight 364.42 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' _symmetry_cell_setting Monoclinic _symmetry_space_group_name_H-M P2(1)/n loop_ _symmetry_equiv_pos_as_xyz 'x, y, z' '-x+1/2, y+1/2, -z+1/2' '-x, -y, -z' 'x-1/2, -y-1/2, z-1/2' _cell_length_a 12.157(3) _cell_length_b 12.525(2) _cell_length_c 12.945(3) _cell_angle_alpha 90.00 _cell_angle_beta 91.141(5) _cell_angle_gamma 90.00 _cell_volume 1970.8(7) _cell_formula_units_Z 4 _cell_measurement_temperature 296(2) _cell_measurement_reflns_used 646 _cell_measurement_theta_min 2.28 _cell_measurement_theta_max 17.37 _exptl_crystal_description block _exptl_crystal_colour white _exptl_crystal_size_max 0.35 _exptl_crystal_size_mid 0.28 _exptl_crystal_size_min 0.13 _exptl_crystal_density_meas 1.220 _exptl_crystal_density_diffrn 1.228 _exptl_crystal_density_method 'not measured' _exptl_crystal_F_000 768 _exptl_absorpt_coefficient_mu 0.076 _exptl_absorpt_correction_type none _exptl_absorpt_correction_T_min 0.9740 _exptl_absorpt_correction_T_max 0.9899 _exptl_absorpt_process_details ? _exptl_special_details ; ? ; _diffrn_ambient_temperature 296(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 CCD' _diffrn_measurement_method '\f and \w scans' _diffrn_detector_area_resol_mean ? _diffrn_reflns_number 9830 _diffrn_reflns_av_R_equivalents 0.0712 _diffrn_reflns_av_sigmaI/netI 0.0925 _diffrn_reflns_limit_h_min -14 _diffrn_reflns_limit_h_max 11 _diffrn_reflns_limit_k_min -14 _diffrn_reflns_limit_k_max 9 _diffrn_reflns_limit_l_min -14 _diffrn_reflns_limit_l_max 15 _diffrn_reflns_theta_min 2.26 _diffrn_reflns_theta_max 25.09 _reflns_number_total 3515 _reflns_number_gt 1536 _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, 2008)' _computing_structure_refinement 'SHELXL-97 (Sheldrick, 2008)' _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^)+(0.0587P)^2^+0.0000P] 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 SHELXL _refine_ls_extinction_coef 0.0069(13) _refine_ls_extinction_expression 'Fc^*^=kFc[1+0.001xFc^2^\l^3^/sin(2\q)]^-1/4^' _refine_ls_number_reflns 3515 _refine_ls_number_parameters 255 _refine_ls_number_restraints 0 _refine_ls_R_factor_all 0.1588 _refine_ls_R_factor_gt 0.0614 _refine_ls_wR_factor_ref 0.1691 _refine_ls_wR_factor_gt 0.1272 _refine_ls_goodness_of_fit_ref 0.987 _refine_ls_restrained_S_all 0.987 _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 -0.1485(2) 0.1505(2) 0.7814(2) 0.0990(10) Uani 1 1 d . . . O2 O -0.2019(2) -0.01668(19) 0.8084(2) 0.0820(8) Uani 1 1 d . . . C1 C -0.3775(4) -0.0813(3) 0.7579(4) 0.1111(16) Uani 1 1 d . . . H1A H -0.3431 -0.1318 0.7132 0.167 Uiso 1 1 calc R . . H1B H -0.4483 -0.0619 0.7294 0.167 Uiso 1 1 calc R . . H1C H -0.3865 -0.1126 0.8249 0.167 Uiso 1 1 calc R . . C2 C -0.3100(3) 0.0122(3) 0.7672(4) 0.0989(14) Uani 1 1 d . . . H2A H -0.3444 0.0632 0.8128 0.119 Uiso 1 1 calc R . . H2B H -0.3027 0.0453 0.7000 0.119 Uiso 1 1 calc R . . C3 C -0.1271(3) 0.0611(3) 0.8100(3) 0.0710(11) Uani 1 1 d . . . C4 C -0.0206(3) 0.0189(3) 0.8473(3) 0.0660(10) Uani 1 1 d . . . H4 H -0.0212 -0.0501 0.8739 0.079 Uiso 1 1 calc R . . C5 C 0.0774(3) 0.0681(3) 0.8475(2) 0.0564(9) Uani 1 1 d . . . C6 C 0.0921(3) 0.1758(3) 0.8084(2) 0.0661(10) Uani 1 1 d . . . H6 H 0.0297 0.2158 0.7916 0.079 Uiso 1 1 calc R . . C7 C 0.1902(3) 0.2199(3) 0.7955(3) 0.0659(10) Uani 1 1 d . . . H7 H 0.1924 0.2895 0.7705 0.079 Uiso 1 1 calc R . . C8 C 0.2974(3) 0.1651(2) 0.8184(2) 0.0535(9) Uani 1 1 d . . . C9 C 0.2815(3) 0.0573(2) 0.8705(2) 0.0530(9) Uani 1 1 d . . . C10 C 0.3754(3) 0.0018(3) 0.9029(2) 0.0627(10) Uani 1 1 d . . . H10 H 0.4443 0.0318 0.8924 0.075 Uiso 1 1 calc R . . C11 C 0.3683(3) -0.0955(3) 0.9496(3) 0.0651(10) Uani 1 1 d . . . H11 H 0.4321 -0.1314 0.9699 0.078 Uiso 1 1 calc R . . C12 C 0.2674(3) -0.1406(3) 0.9666(2) 0.0667(10) Uani 1 1 d . . . H12 H 0.2623 -0.2065 0.9993 0.080 Uiso 1 1 calc R . . C13 C 0.1739(3) -0.0874(3) 0.9349(2) 0.0621(10) Uani 1 1 d . . . H13 H 0.1056 -0.1180 0.9469 0.075 Uiso 1 1 calc R . . C14 C 0.1786(3) 0.0117(2) 0.8848(2) 0.0521(9) Uani 1 1 d . . . C15 C 0.3623(3) 0.1540(3) 0.7187(3) 0.0632(10) Uani 1 1 d . . . C16 C 0.3319(4) 0.0970(3) 0.6311(3) 0.0928(14) Uani 1 1 d . . . H16 H 0.2664 0.0586 0.6277 0.111 Uiso 1 1 calc R . . C17 C 0.4032(6) 0.0994(5) 0.5483(4) 0.126(2) Uani 1 1 d . . . H17 H 0.3850 0.0621 0.4883 0.151 Uiso 1 1 calc R . . C18 C 0.5002(6) 0.1560(5) 0.5536(5) 0.138(3) Uani 1 1 d . . . H18 H 0.5457 0.1567 0.4967 0.165 Uiso 1 1 calc R . . C19 C 0.5317(4) 0.2117(3) 0.6415(4) 0.0981(15) Uani 1 1 d . . . H19 H 0.5983 0.2482 0.6451 0.118 Uiso 1 1 calc R . . C20 C 0.4606(4) 0.2114(3) 0.7245(3) 0.0699(11) Uani 1 1 d . . . C21 C 0.4671(3) 0.2626(3) 0.8257(3) 0.0656(10) Uani 1 1 d . . . C22 C 0.5496(4) 0.3266(3) 0.8695(4) 0.0915(14) Uani 1 1 d . . . H22 H 0.6131 0.3426 0.8337 0.110 Uiso 1 1 calc R . . C23 C 0.5336(5) 0.3654(3) 0.9680(5) 0.1097(19) Uani 1 1 d . . . H23 H 0.5869 0.4093 0.9982 0.132 Uiso 1 1 calc R . . C24 C 0.4420(5) 0.3410(3) 1.0223(4) 0.1002(16) Uani 1 1 d . . . H24 H 0.4340 0.3678 1.0887 0.120 Uiso 1 1 calc R . . C25 C 0.3610(3) 0.2768(3) 0.9789(3) 0.0755(11) Uani 1 1 d . . . H25 H 0.2983 0.2604 1.0157 0.091 Uiso 1 1 calc R . . C26 C 0.3740(3) 0.2372(2) 0.8802(3) 0.0544(9) 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 O1 0.065(2) 0.084(2) 0.147(3) 0.0209(19) -0.0140(17) 0.0084(16) O2 0.0494(19) 0.0736(18) 0.122(2) -0.0190(15) -0.0135(15) 0.0071(14) C1 0.067(3) 0.110(4) 0.155(4) -0.015(3) -0.024(3) 0.001(3) C2 0.053(3) 0.098(3) 0.144(4) -0.013(3) -0.024(3) 0.007(2) C3 0.059(3) 0.073(3) 0.081(3) -0.011(2) -0.003(2) 0.003(2) C4 0.050(3) 0.064(2) 0.084(3) -0.0007(18) -0.006(2) 0.006(2) C5 0.050(3) 0.061(2) 0.058(2) -0.0086(17) 0.0010(18) 0.0063(18) C6 0.058(3) 0.060(2) 0.080(3) 0.0032(19) -0.003(2) 0.0147(19) C7 0.062(3) 0.058(2) 0.078(3) 0.0072(18) -0.002(2) 0.008(2) C8 0.050(2) 0.055(2) 0.056(2) 0.0035(16) 0.0004(17) 0.0066(17) C9 0.053(3) 0.053(2) 0.053(2) -0.0018(15) -0.0050(17) 0.0070(18) C10 0.048(3) 0.058(2) 0.082(3) 0.0050(19) -0.0058(19) 0.0012(18) C11 0.056(3) 0.060(2) 0.078(3) 0.0040(19) -0.013(2) 0.0004(19) C12 0.074(3) 0.049(2) 0.077(3) 0.0035(17) -0.011(2) 0.003(2) C13 0.056(3) 0.059(2) 0.070(2) -0.0004(18) -0.0008(19) -0.0046(18) C14 0.048(2) 0.052(2) 0.056(2) -0.0065(16) -0.0018(17) 0.0047(18) C15 0.076(3) 0.063(2) 0.050(2) 0.0030(18) 0.000(2) 0.024(2) C16 0.116(4) 0.093(3) 0.069(3) -0.013(2) -0.015(3) 0.040(3) C17 0.177(7) 0.131(5) 0.070(4) -0.002(3) 0.010(4) 0.077(5) C18 0.190(7) 0.138(6) 0.089(4) 0.039(4) 0.061(5) 0.096(5) C19 0.095(4) 0.096(3) 0.105(4) 0.042(3) 0.048(3) 0.041(3) C20 0.071(3) 0.065(3) 0.075(3) 0.020(2) 0.016(2) 0.019(2) C21 0.063(3) 0.050(2) 0.084(3) 0.020(2) 0.003(2) 0.0048(19) C22 0.073(3) 0.063(3) 0.138(4) 0.031(3) -0.006(3) -0.009(2) C23 0.112(5) 0.063(3) 0.152(5) 0.008(3) -0.051(4) -0.011(3) C24 0.139(5) 0.068(3) 0.093(3) -0.014(2) -0.033(4) 0.007(3) C25 0.092(3) 0.061(2) 0.074(3) 0.000(2) -0.006(2) 0.011(2) C26 0.062(3) 0.046(2) 0.055(2) 0.0015(16) 0.0028(18) 0.0059(17) _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 C3 1.205(4) . ? O2 C3 1.333(4) . ? O2 C2 1.454(4) . ? C1 C2 1.433(5) . ? C1 H1A 0.9600 . ? C1 H1B 0.9600 . ? C1 H1C 0.9600 . ? C2 H2A 0.9700 . ? C2 H2B 0.9700 . ? C3 C4 1.472(5) . ? C4 C5 1.342(4) . ? C4 H4 0.9300 . ? C5 C6 1.453(4) . ? C5 C14 1.490(4) . ? C6 C7 1.328(4) . ? C6 H6 0.9300 . ? C7 C8 1.498(4) . ? C7 H7 0.9300 . ? C8 C26 1.515(4) . ? C8 C9 1.523(4) . ? C8 C15 1.533(4) . ? C9 C14 1.391(4) . ? C9 C10 1.394(4) . ? C10 C11 1.364(4) . ? C10 H10 0.9300 . ? C11 C12 1.373(5) . ? C11 H11 0.9300 . ? C12 C13 1.373(4) . ? C12 H12 0.9300 . ? C13 C14 1.403(4) . ? C13 H13 0.9300 . ? C15 C16 1.384(5) . ? C15 C20 1.395(5) . ? C16 C17 1.393(7) . ? C16 H16 0.9300 . ? C17 C18 1.376(7) . ? C17 H17 0.9300 . ? C18 C19 1.383(7) . ? C18 H18 0.9300 . ? C19 C20 1.392(5) . ? C19 H19 0.9300 . ? C20 C21 1.459(5) . ? C21 C26 1.383(5) . ? C21 C22 1.396(5) . ? C22 C23 1.382(6) . ? C22 H22 0.9300 . ? C23 C24 1.363(6) . ? C23 H23 0.9300 . ? C24 C25 1.382(5) . ? C24 H24 0.9300 . ? C25 C26 1.382(4) . ? C25 H25 0.9300 . ? 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 C3 O2 C2 115.8(3) . . ? C2 C1 H1A 109.5 . . ? C2 C1 H1B 109.5 . . ? H1A C1 H1B 109.5 . . ? C2 C1 H1C 109.5 . . ? H1A C1 H1C 109.5 . . ? H1B C1 H1C 109.5 . . ? C1 C2 O2 109.9(3) . . ? C1 C2 H2A 109.7 . . ? O2 C2 H2A 109.7 . . ? C1 C2 H2B 109.7 . . ? O2 C2 H2B 109.7 . . ? H2A C2 H2B 108.2 . . ? O1 C3 O2 122.1(4) . . ? O1 C3 C4 128.2(4) . . ? O2 C3 C4 109.7(3) . . ? C5 C4 C3 127.6(3) . . ? C5 C4 H4 116.2 . . ? C3 C4 H4 116.2 . . ? C4 C5 C6 122.8(3) . . ? C4 C5 C14 120.6(3) . . ? C6 C5 C14 116.5(3) . . ? C7 C6 C5 123.1(3) . . ? C7 C6 H6 118.4 . . ? C5 C6 H6 118.4 . . ? C6 C7 C8 124.4(3) . . ? C6 C7 H7 117.8 . . ? C8 C7 H7 117.8 . . ? C7 C8 C26 110.8(3) . . ? C7 C8 C9 112.1(3) . . ? C26 C8 C9 112.1(2) . . ? C7 C8 C15 109.6(3) . . ? C26 C8 C15 100.2(3) . . ? C9 C8 C15 111.4(3) . . ? C14 C9 C10 119.3(3) . . ? C14 C9 C8 123.0(3) . . ? C10 C9 C8 117.7(3) . . ? C11 C10 C9 121.4(3) . . ? C11 C10 H10 119.3 . . ? C9 C10 H10 119.3 . . ? C10 C11 C12 120.2(3) . . ? C10 C11 H11 119.9 . . ? C12 C11 H11 119.9 . . ? C11 C12 C13 119.3(3) . . ? C11 C12 H12 120.3 . . ? C13 C12 H12 120.3 . . ? C12 C13 C14 121.8(3) . . ? C12 C13 H13 119.1 . . ? C14 C13 H13 119.1 . . ? C9 C14 C13 118.0(3) . . ? C9 C14 C5 120.1(3) . . ? C13 C14 C5 121.9(3) . . ? C16 C15 C20 121.7(4) . . ? C16 C15 C8 127.0(4) . . ? C20 C15 C8 111.3(3) . . ? C15 C16 C17 117.3(5) . . ? C15 C16 H16 121.4 . . ? C17 C16 H16 121.4 . . ? C18 C17 C16 121.3(6) . . ? C18 C17 H17 119.4 . . ? C16 C17 H17 119.4 . . ? C17 C18 C19 121.6(6) . . ? C17 C18 H18 119.2 . . ? C19 C18 H18 119.2 . . ? C18 C19 C20 117.9(5) . . ? C18 C19 H19 121.1 . . ? C20 C19 H19 121.1 . . ? C19 C20 C15 120.3(4) . . ? C19 C20 C21 131.9(5) . . ? C15 C20 C21 107.8(3) . . ? C26 C21 C22 120.9(4) . . ? C26 C21 C20 109.1(4) . . ? C22 C21 C20 130.0(4) . . ? C23 C22 C21 117.6(4) . . ? C23 C22 H22 121.2 . . ? C21 C22 H22 121.2 . . ? C24 C23 C22 121.9(5) . . ? C24 C23 H23 119.0 . . ? C22 C23 H23 119.0 . . ? C23 C24 C25 120.3(5) . . ? C23 C24 H24 119.9 . . ? C25 C24 H24 119.9 . . ? C26 C25 C24 119.4(4) . . ? C26 C25 H25 120.3 . . ? C24 C25 H25 120.3 . . ? C25 C26 C21 120.0(3) . . ? C25 C26 C8 128.4(3) . . ? C21 C26 C8 111.6(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 C3 O2 C2 C1 172.7(4) . . . . ? C2 O2 C3 O1 1.9(5) . . . . ? C2 O2 C3 C4 -176.5(3) . . . . ? O1 C3 C4 C5 -7.4(7) . . . . ? O2 C3 C4 C5 170.8(3) . . . . ? C3 C4 C5 C6 -0.2(6) . . . . ? C3 C4 C5 C14 -177.6(3) . . . . ? C4 C5 C6 C7 -170.7(3) . . . . ? C14 C5 C6 C7 6.8(5) . . . . ? C5 C6 C7 C8 0.5(5) . . . . ? C6 C7 C8 C26 -132.9(4) . . . . ? C6 C7 C8 C9 -6.8(5) . . . . ? C6 C7 C8 C15 117.4(4) . . . . ? C7 C8 C9 C14 6.2(4) . . . . ? C26 C8 C9 C14 131.5(3) . . . . ? C15 C8 C9 C14 -117.1(3) . . . . ? C7 C8 C9 C10 -175.3(3) . . . . ? C26 C8 C9 C10 -50.0(4) . . . . ? C15 C8 C9 C10 61.4(4) . . . . ? C14 C9 C10 C11 -1.0(5) . . . . ? C8 C9 C10 C11 -179.6(3) . . . . ? C9 C10 C11 C12 -0.6(5) . . . . ? C10 C11 C12 C13 0.9(5) . . . . ? C11 C12 C13 C14 0.4(5) . . . . ? C10 C9 C14 C13 2.2(5) . . . . ? C8 C9 C14 C13 -179.3(3) . . . . ? C10 C9 C14 C5 -178.0(3) . . . . ? C8 C9 C14 C5 0.6(4) . . . . ? C12 C13 C14 C9 -2.0(5) . . . . ? C12 C13 C14 C5 178.2(3) . . . . ? C4 C5 C14 C9 170.4(3) . . . . ? C6 C5 C14 C9 -7.2(4) . . . . ? C4 C5 C14 C13 -9.7(5) . . . . ? C6 C5 C14 C13 172.7(3) . . . . ? C7 C8 C15 C16 -62.6(4) . . . . ? C26 C8 C15 C16 -179.2(3) . . . . ? C9 C8 C15 C16 62.1(4) . . . . ? C7 C8 C15 C20 116.6(3) . . . . ? C26 C8 C15 C20 0.0(3) . . . . ? C9 C8 C15 C20 -118.7(3) . . . . ? C20 C15 C16 C17 -0.2(5) . . . . ? C8 C15 C16 C17 178.9(3) . . . . ? C15 C16 C17 C18 0.2(7) . . . . ? C16 C17 C18 C19 0.8(9) . . . . ? C17 C18 C19 C20 -1.7(8) . . . . ? C18 C19 C20 C15 1.7(5) . . . . ? C18 C19 C20 C21 -178.6(4) . . . . ? C16 C15 C20 C19 -0.7(5) . . . . ? C8 C15 C20 C19 -180.0(3) . . . . ? C16 C15 C20 C21 179.4(3) . . . . ? C8 C15 C20 C21 0.2(4) . . . . ? C19 C20 C21 C26 179.8(3) . . . . ? C15 C20 C21 C26 -0.4(4) . . . . ? C19 C20 C21 C22 -1.2(6) . . . . ? C15 C20 C21 C22 178.6(3) . . . . ? C26 C21 C22 C23 -1.5(5) . . . . ? C20 C21 C22 C23 179.7(4) . . . . ? C21 C22 C23 C24 1.2(6) . . . . ? C22 C23 C24 C25 -0.7(7) . . . . ? C23 C24 C25 C26 0.3(6) . . . . ? C24 C25 C26 C21 -0.5(5) . . . . ? C24 C25 C26 C8 179.2(3) . . . . ? C22 C21 C26 C25 1.1(5) . . . . ? C20 C21 C26 C25 -179.8(3) . . . . ? C22 C21 C26 C8 -178.7(3) . . . . ? C20 C21 C26 C8 0.4(4) . . . . ? C7 C8 C26 C25 64.3(4) . . . . ? C9 C8 C26 C25 -61.8(4) . . . . ? C15 C8 C26 C25 -180.0(3) . . . . ? C7 C8 C26 C21 -116.0(3) . . . . ? C9 C8 C26 C21 118.0(3) . . . . ? C15 C8 C26 C21 -0.3(3) . . . . ? _diffrn_measured_fraction_theta_max 0.999 _diffrn_reflns_theta_full 25.09 _diffrn_measured_fraction_theta_full 0.999 _refine_diff_density_max 0.193 _refine_diff_density_min -0.160 _refine_diff_density_rms 0.036