# Electronic Supplementary Material (ESI) for Physical Chemistry Chemical Physics # This journal is © The Owner Societies 2012 data_global _journal_name_full Phys.Chem.Chem.Phys.(PCCP) _journal_coden_cambridge 1326 _journal_year 2012 _journal_volume 14 _journal_page_first 1 _publ_contact_author_name 'Zuoquan Jiang' _publ_contact_author_address ;Institute of Functional Nano & Soft Materials Soochow University Suzhou 215123 P. R. China ; _publ_contact_author_email zqjiang@suda.edu.cn _publ_contact_author_phone 86-512-65880093 _publ_contact_author_fax 86-512-65882846 loop_ _publ_author_name _publ_author_address 'Shoucheng Dong' ;Institute of Functional Nano & Soft Materials Soochow University Suzhou 215123 P. R. China ; 'Chun-Hong Gao' '' 'Zhao-Hu Zhang' '' 'Zuo-Quan Jiang' '' 'Shuit-Tong Lee' '' 'Liang-Sheng Liao' '' data_g120401b _database_code_depnum_ccdc_archive 'CCDC 880571' #TrackingRef 'SF2DBF.cif' _audit_creation_date 2012-04-12 _audit_creation_method ; Olex2 1.1 (compiled 2011.08.18 svn.r1932, GUI svn.r3819) ; _chemical_name_common ? _chemical_name_systematic ; ? ; _chemical_formula_moiety 'C37 H22 O' _chemical_formula_sum 'C37 H22 O' _chemical_formula_weight 482.55 _chemical_melting_point ? 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' _space_group_crystal_system monoclinic _space_group_IT_number 14 _space_group_name_H-M_alt 'P 1 21/n 1' _space_group_name_Hall '-P 2yn' loop_ _space_group_symop_id _space_group_symop_operation_xyz 1 'x, y, z' 2 '-x+1/2, y+1/2, -z+1/2' 3 '-x, -y, -z' 4 'x-1/2, -y-1/2, z-1/2' _cell_length_a 9.9930(6) _cell_length_b 9.7316(4) _cell_length_c 25.6891(12) _cell_angle_alpha 90.00 _cell_angle_beta 93.021(4) _cell_angle_gamma 90.00 _cell_volume 2494.7(2) _cell_formula_units_Z 4 _cell_measurement_reflns_used 2188 _cell_measurement_temperature 293(2) _cell_measurement_theta_max 29.3624 _cell_measurement_theta_min 3.1649 _exptl_absorpt_coefficient_mu 0.076 _exptl_absorpt_correction_T_max 1.00000 _exptl_absorpt_correction_T_min 0.91541 _exptl_absorpt_correction_type multi-scan _exptl_absorpt_process_details ; CrysAlisPro, Agilent Technologies, Version 1.171.35.21 (release 20-01-2012 CrysAlis171 .NET) (compiled Jan 23 2012,18:06:46) Empirical absorption correction using spherical harmonics, implemented in SCALE3 ABSPACK scaling algorithm. ; _exptl_crystal_colour colorless _exptl_crystal_density_diffrn 1.285 _exptl_crystal_density_meas ? _exptl_crystal_density_method 'not measured' _exptl_crystal_description ? _exptl_crystal_F_000 1008 _exptl_crystal_size_max 0.4 _exptl_crystal_size_mid 0.25 _exptl_crystal_size_min 0.25 _exptl_special_details ; ? ; _diffrn_reflns_av_R_equivalents 0.0567 _diffrn_reflns_av_unetI/netI 0.0794 _diffrn_reflns_limit_h_max 11 _diffrn_reflns_limit_h_min -11 _diffrn_reflns_limit_k_max 9 _diffrn_reflns_limit_k_min -11 _diffrn_reflns_limit_l_max 22 _diffrn_reflns_limit_l_min -30 _diffrn_reflns_number 10944 _diffrn_reflns_theta_full 25.12 _diffrn_reflns_theta_max 25.12 _diffrn_reflns_theta_min 3.17 _diffrn_ambient_temperature 293(2) _diffrn_detector_area_resol_mean 10.4692 _diffrn_measured_fraction_theta_full 0.997 _diffrn_measured_fraction_theta_max 0.997 _diffrn_measurement_details ; #__ type_ start__ end____ width___ exp.time_ 1 omega -32.00 64.00 1.0000 30.0000 omega____ theta____ kappa____ phi______ frames - 11.6909 19.0000 -180.0000 96 #__ type_ start__ end____ width___ exp.time_ 2 omega -18.00 86.00 1.0000 30.0000 omega____ theta____ kappa____ phi______ frames - 11.6909 57.0000 -150.0000 104 ; _diffrn_measurement_device_type 'Xcalibur, Atlas, Gemini' _diffrn_measurement_method '\w scans' _diffrn_orient_matrix_UB_11 -0.0579836000 _diffrn_orient_matrix_UB_12 0.0094529000 _diffrn_orient_matrix_UB_13 -0.0167391000 _diffrn_orient_matrix_UB_21 -0.0378900000 _diffrn_orient_matrix_UB_22 0.0152017000 _diffrn_orient_matrix_UB_23 0.0218767000 _diffrn_orient_matrix_UB_31 0.0160180000 _diffrn_orient_matrix_UB_32 0.0706234000 _diffrn_orient_matrix_UB_33 -0.0024389000 _diffrn_radiation_monochromator graphite _diffrn_radiation_type 'Mo K\a' _diffrn_radiation_wavelength 0.7107 _diffrn_source 'Enhance (Mo) X-ray Source' _diffrn_standards_decay_% ? _diffrn_standards_interval_count ? _diffrn_standards_interval_time ? _diffrn_standards_number ? _reflns_number_gt 2604 _reflns_number_total 4453 _reflns_odcompleteness_completeness 99.59 _reflns_odcompleteness_iscentric 1 _reflns_odcompleteness_theta 26.32 _reflns_threshold_expression >2sigma(I) _computing_cell_refinement ; CrysAlisPro, Agilent Technologies, Version 1.171.35.21 (release 20-01-2012 CrysAlis171 .NET) (compiled Jan 23 2012,18:06:46) ; _computing_data_collection ; CrysAlisPro, Agilent Technologies, Version 1.171.35.21 (release 20-01-2012 CrysAlis171 .NET) (compiled Jan 23 2012,18:06:46) ; _computing_data_reduction ; CrysAlisPro, Agilent Technologies, Version 1.171.35.21 (release 20-01-2012 CrysAlis171 .NET) (compiled Jan 23 2012,18:06:46) ; _computing_molecular_graphics ; O. V. Dolomanov, L. J. Bourhis, R. J. Gildea, J. A. K. Howard and H. Puschmann, OLEX2: a complete structure solution, refinement and analysis program. J. Appl. Cryst. (2009). 42, 339-341. ; _computing_publication_material ; O. V. Dolomanov, L. J. Bourhis, R. J. Gildea, J. A. K. Howard and H. Puschmann, OLEX2: a complete structure solution, refinement and analysis program. J. Appl. Cryst. (2009). 42, 339-341. ; _computing_structure_refinement ; XL, G.M. Sheldrick, Acta Cryst. (2008). A64, 112-122 ; _computing_structure_solution 'SHELXS-97 (Sheldrick, 1990)' _refine_diff_density_max 0.387 _refine_diff_density_min -0.225 _refine_diff_density_rms 0.045 _refine_ls_extinction_coef ? _refine_ls_extinction_method none _refine_ls_goodness_of_fit_ref 0.939 _refine_ls_hydrogen_treatment constr _refine_ls_matrix_type full _refine_ls_number_parameters 343 _refine_ls_number_reflns 4453 _refine_ls_number_restraints 0 _refine_ls_R_factor_all 0.1219 _refine_ls_R_factor_gt 0.0624 _refine_ls_restrained_S_all 0.939 _refine_ls_shift/su_max 0.000 _refine_ls_shift/su_mean 0.000 _refine_ls_structure_factor_coef Fsqd _refine_ls_weighting_details 'calc w=1/[\s^2^(Fo^2^)+(0.1000P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3' _refine_ls_weighting_scheme calc _refine_ls_wR_factor_gt 0.1520 _refine_ls_wR_factor_ref 0.1922 _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. ; _atom_sites_solution_hydrogens geom _atom_sites_solution_primary direct _atom_sites_solution_secondary difmap 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 0.2698(2) 0.5560(2) 0.00869(8) 0.0568(6) Uani 1 1 d . . . C19 C 0.5962(3) 0.8884(3) 0.18082(11) 0.0412(7) Uani 1 1 d . . . C16 C 0.5400(3) 0.8602(3) 0.12798(12) 0.0416(7) Uani 1 1 d . . . C17 C 0.4279(3) 0.9429(3) 0.11781(11) 0.0403(7) Uani 1 1 d . . . C31 C 0.2073(3) 1.1552(3) 0.19036(11) 0.0408(7) Uani 1 1 d . . . C24 C 0.5178(3) 0.9905(3) 0.20277(11) 0.0396(7) Uani 1 1 d . . . C26 C 0.2668(3) 1.0255(3) 0.18596(10) 0.0399(7) Uani 1 1 d . . . C23 C 0.5458(3) 1.0322(3) 0.25351(12) 0.0467(8) Uani 1 1 d . . . H23 H 0.4948 1.1009 0.2680 0.056 Uiso 1 1 calc R . . C32 C 0.2967(3) 1.2572(3) 0.16783(10) 0.0418(7) Uani 1 1 d . . . C33 C 0.2795(4) 1.3982(3) 0.16002(12) 0.0551(9) Uani 1 1 d . . . H33 H 0.2038 1.4429 0.1710 0.066 Uiso 1 1 calc R . . C13 C 0.3842(3) 0.8291(3) 0.03581(11) 0.0472(8) Uani 1 1 d . . . C37 C 0.4107(3) 1.1919(3) 0.15120(10) 0.0413(7) Uani 1 1 d . . . C30 C 0.0847(3) 1.1686(3) 0.21218(12) 0.0499(8) Uani 1 1 d . . . H30 H 0.0478 1.2551 0.2170 0.060 Uiso 1 1 calc R . . C2 C 0.2940(3) 0.8021(3) -0.01064(12) 0.0521(8) Uani 1 1 d . . . C15 C 0.5772(3) 0.7643(3) 0.09064(12) 0.0468(8) Uani 1 1 d . . . H15 H 0.6543 0.7116 0.0963 0.056 Uiso 1 1 calc R . . C18 C 0.3505(3) 0.9288(3) 0.07220(11) 0.0489(8) Uani 1 1 d . . . H18 H 0.2763 0.9851 0.0656 0.059 Uiso 1 1 calc R . . C14 C 0.4984(3) 0.7494(3) 0.04576(12) 0.0517(8) Uani 1 1 d . . . H14 H 0.5218 0.6844 0.0213 0.062 Uiso 1 1 calc R . . C21 C 0.7264(3) 0.8690(3) 0.26147(14) 0.0559(9) Uani 1 1 d . . . H21 H 0.7953 0.8277 0.2816 0.067 Uiso 1 1 calc R . . C36 C 0.5087(3) 1.2647(3) 0.12726(11) 0.0519(8) Uani 1 1 d . . . H36 H 0.5851 1.2206 0.1166 0.062 Uiso 1 1 calc R . . C20 C 0.7001(3) 0.8281(3) 0.21031(13) 0.0515(8) Uani 1 1 d . . . H20 H 0.7521 0.7604 0.1958 0.062 Uiso 1 1 calc R . . C22 C 0.6496(4) 0.9716(3) 0.28263(13) 0.0536(9) Uani 1 1 d . . . H22 H 0.6684 0.9998 0.3168 0.064 Uiso 1 1 calc R . . C1 C 0.2421(3) 0.6724(3) -0.02215(11) 0.0498(8) Uani 1 1 d . . . C7 C 0.1150(4) 0.4973(4) -0.05689(13) 0.0574(9) Uani 1 1 d . . . C6 C 0.1505(4) 0.6419(3) -0.06275(12) 0.0556(9) Uani 1 1 d . . . C12 C 0.1892(3) 0.4516(3) -0.01298(13) 0.0557(9) Uani 1 1 d . . . C29 C 0.0179(3) 1.0528(3) 0.22666(13) 0.0598(9) Uani 1 1 d . . . H29 H -0.0656 1.0609 0.2408 0.072 Uiso 1 1 calc R . . C34 C 0.3781(4) 1.4701(3) 0.13541(13) 0.0597(9) Uani 1 1 d . . . H34 H 0.3678 1.5639 0.1296 0.072 Uiso 1 1 calc R . . C35 C 0.4914(4) 1.4043(3) 0.11945(13) 0.0599(9) Uani 1 1 d . . . H35 H 0.5567 1.4544 0.1033 0.072 Uiso 1 1 calc R . . C28 C 0.0737(4) 0.9234(3) 0.22044(14) 0.0635(10) Uani 1 1 d . . . H28 H 0.0265 0.8456 0.2298 0.076 Uiso 1 1 calc R . . C27 C 0.1994(3) 0.9094(3) 0.20039(13) 0.0541(9) Uani 1 1 d . . . H27 H 0.2374 0.8229 0.1968 0.065 Uiso 1 1 calc R . . C25 C 0.4050(3) 1.0370(3) 0.16403(11) 0.0408(7) Uani 1 1 d . . . C3 C 0.2476(4) 0.9045(4) -0.04433(13) 0.0640(10) Uani 1 1 d . . . H3 H 0.2783 0.9939 -0.0389 0.077 Uiso 1 1 calc R . . C4 C 0.1548(4) 0.8780(4) -0.08674(14) 0.0712(11) Uani 1 1 d . . . H4 H 0.1263 0.9494 -0.1087 0.085 Uiso 1 1 calc R . . C11 C 0.1817(4) 0.3224(4) 0.00690(15) 0.0649(10) Uani 1 1 d . . . H11 H 0.2325 0.2959 0.0366 0.078 Uiso 1 1 calc R . . C10 C 0.0956(5) 0.2332(4) -0.01907(18) 0.0797(12) Uani 1 1 d . . . H10 H 0.0869 0.1442 -0.0065 0.096 Uiso 1 1 calc R . . C8 C 0.0284(4) 0.4048(4) -0.08243(15) 0.0729(11) Uani 1 1 d . . . H8 H -0.0236 0.4320 -0.1117 0.087 Uiso 1 1 calc R . . C9 C 0.0204(4) 0.2731(5) -0.0641(2) 0.0870(13) Uani 1 1 d . . . H9 H -0.0353 0.2098 -0.0816 0.104 Uiso 1 1 calc R . . C5 C 0.1074(4) 0.7488(4) -0.09557(13) 0.0661(10) Uani 1 1 d . . . H5 H 0.0463 0.7318 -0.1234 0.079 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 0.0585(16) 0.0567(14) 0.0550(13) -0.0039(11) 0.0015(11) 0.0054(11) C19 0.0315(18) 0.0342(15) 0.0580(19) 0.0059(13) 0.0040(14) -0.0004(13) C16 0.0337(18) 0.0354(15) 0.0564(18) 0.0001(13) 0.0073(14) 0.0001(13) C17 0.0367(19) 0.0356(15) 0.0488(17) 0.0018(13) 0.0054(14) 0.0014(13) C31 0.041(2) 0.0391(16) 0.0423(16) 0.0001(13) -0.0024(14) 0.0076(14) C24 0.0397(19) 0.0320(14) 0.0475(17) 0.0027(13) 0.0049(14) -0.0035(13) C26 0.0372(18) 0.0380(16) 0.0444(16) 0.0011(13) 0.0009(13) 0.0015(14) C23 0.048(2) 0.0376(16) 0.0547(19) 0.0026(14) 0.0026(16) -0.0084(14) C32 0.047(2) 0.0350(15) 0.0431(16) 0.0010(12) -0.0009(14) 0.0067(14) C33 0.063(2) 0.0399(17) 0.063(2) 0.0011(15) 0.0087(17) 0.0146(16) C13 0.049(2) 0.0483(18) 0.0443(17) -0.0046(14) 0.0073(15) -0.0046(16) C37 0.045(2) 0.0369(16) 0.0415(16) -0.0005(12) -0.0007(14) 0.0028(14) C30 0.041(2) 0.0489(18) 0.0602(19) 0.0025(15) 0.0061(16) 0.0101(15) C2 0.050(2) 0.056(2) 0.0513(19) -0.0008(15) 0.0132(16) 0.0063(16) C15 0.038(2) 0.0407(16) 0.062(2) -0.0030(15) 0.0083(16) 0.0030(14) C18 0.044(2) 0.0481(18) 0.0544(19) 0.0031(15) 0.0001(16) 0.0079(15) C14 0.047(2) 0.0466(17) 0.063(2) -0.0113(15) 0.0148(17) 0.0012(16) C21 0.040(2) 0.061(2) 0.065(2) 0.0139(17) -0.0066(16) -0.0071(17) C36 0.049(2) 0.0485(18) 0.0597(19) -0.0017(15) 0.0137(16) 0.0010(15) C20 0.035(2) 0.0471(17) 0.072(2) 0.0049(16) -0.0003(16) 0.0036(15) C22 0.054(2) 0.0522(19) 0.0536(19) 0.0079(16) -0.0043(17) -0.0194(18) C1 0.053(2) 0.0520(19) 0.0444(18) -0.0039(15) 0.0060(15) 0.0114(16) C7 0.049(2) 0.065(2) 0.059(2) -0.0174(18) 0.0040(17) 0.0057(18) C6 0.049(2) 0.069(2) 0.0492(19) -0.0089(16) 0.0025(16) 0.0106(17) C12 0.044(2) 0.059(2) 0.065(2) -0.0156(17) 0.0123(17) 0.0012(17) C29 0.039(2) 0.062(2) 0.080(2) 0.0079(18) 0.0125(17) 0.0049(17) C34 0.078(3) 0.0350(17) 0.067(2) 0.0080(15) 0.0082(19) 0.0030(17) C35 0.068(3) 0.0424(18) 0.071(2) 0.0075(16) 0.0155(19) -0.0079(17) C28 0.048(2) 0.056(2) 0.087(3) 0.0121(18) 0.0087(19) -0.0080(17) C27 0.048(2) 0.0396(17) 0.075(2) 0.0025(16) 0.0072(17) 0.0043(15) C25 0.0373(19) 0.0321(15) 0.0532(17) 0.0006(13) 0.0028(14) 0.0050(13) C3 0.072(3) 0.061(2) 0.059(2) 0.0000(18) 0.0094(19) 0.0129(19) C4 0.083(3) 0.073(3) 0.058(2) 0.0079(19) 0.006(2) 0.020(2) C11 0.056(3) 0.056(2) 0.084(3) -0.0051(19) 0.0194(19) -0.0014(18) C10 0.078(3) 0.058(2) 0.106(3) -0.015(2) 0.023(3) -0.004(2) C8 0.059(3) 0.080(3) 0.079(3) -0.017(2) 0.006(2) 0.003(2) C9 0.062(3) 0.081(3) 0.120(4) -0.030(3) 0.019(3) -0.015(2) C5 0.068(3) 0.077(3) 0.053(2) -0.0052(19) -0.0048(18) 0.017(2) _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 C1 1.402(4) . ? O1 C12 1.394(4) . ? C19 C16 1.467(4) . ? C19 C24 1.402(4) . ? C19 C20 1.383(4) . ? C16 C17 1.393(4) . ? C16 C15 1.402(4) . ? C17 C18 1.376(4) . ? C17 C25 1.526(4) . ? C31 C26 1.403(4) . ? C31 C32 1.474(4) . ? C31 C30 1.380(4) . ? C24 C23 1.380(4) . ? C24 C25 1.533(4) . ? C26 C27 1.376(4) . ? C26 C25 1.523(4) . ? C23 C22 1.379(4) . ? C32 C33 1.396(4) . ? C32 C37 1.391(4) . ? C33 C34 1.388(5) . ? C13 C2 1.481(4) . ? C13 C18 1.401(4) . ? C13 C14 1.392(4) . ? C37 C36 1.379(4) . ? C37 C25 1.544(4) . ? C30 C29 1.372(4) . ? C2 C1 1.390(4) . ? C2 C3 1.384(4) . ? C15 C14 1.369(4) . ? C21 C20 1.385(4) . ? C21 C22 1.388(5) . ? C36 C35 1.383(4) . ? C1 C6 1.383(5) . ? C7 C6 1.460(5) . ? C7 C12 1.390(5) . ? C7 C8 1.390(5) . ? C6 C5 1.394(5) . ? C12 C11 1.361(5) . ? C29 C28 1.389(4) . ? C34 C35 1.381(5) . ? C28 C27 1.389(5) . ? C3 C4 1.416(5) . ? C4 C5 1.359(5) . ? C11 C10 1.371(5) . ? C10 C9 1.400(6) . ? C8 C9 1.369(5) . ? 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 C12 O1 C1 105.7(2) . . ? C24 C19 C16 108.1(2) . . ? C20 C19 C16 131.8(3) . . ? C20 C19 C24 119.9(3) . . ? C17 C16 C19 109.3(2) . . ? C17 C16 C15 119.7(3) . . ? C15 C16 C19 130.9(3) . . ? C16 C17 C25 110.7(3) . . ? C18 C17 C16 120.8(3) . . ? C18 C17 C25 128.4(3) . . ? C26 C31 C32 107.8(3) . . ? C30 C31 C26 120.4(3) . . ? C30 C31 C32 131.7(3) . . ? C19 C24 C25 110.9(2) . . ? C23 C24 C19 119.9(3) . . ? C23 C24 C25 129.2(3) . . ? C31 C26 C25 111.1(2) . . ? C27 C26 C31 120.1(3) . . ? C27 C26 C25 128.8(3) . . ? C22 C23 C24 119.7(3) . . ? C33 C32 C31 130.2(3) . . ? C37 C32 C31 109.6(2) . . ? C37 C32 C33 120.1(3) . . ? C34 C33 C32 118.4(3) . . ? C18 C13 C2 120.2(3) . . ? C14 C13 C2 120.5(3) . . ? C14 C13 C18 119.2(3) . . ? C32 C37 C25 109.9(2) . . ? C36 C37 C32 120.9(3) . . ? C36 C37 C25 129.2(3) . . ? C29 C30 C31 119.2(3) . . ? C1 C2 C13 122.5(3) . . ? C3 C2 C13 123.1(3) . . ? C3 C2 C1 114.3(3) . . ? C14 C15 C16 119.0(3) . . ? C17 C18 C13 119.5(3) . . ? C15 C14 C13 121.7(3) . . ? C20 C21 C22 119.8(3) . . ? C37 C36 C35 118.9(3) . . ? C19 C20 C21 119.9(3) . . ? C23 C22 C21 120.7(3) . . ? C2 C1 O1 123.5(3) . . ? C6 C1 O1 110.8(3) . . ? C6 C1 C2 125.5(3) . . ? C12 C7 C6 105.7(3) . . ? C8 C7 C6 136.4(4) . . ? C8 C7 C12 117.9(3) . . ? C1 C6 C7 106.5(3) . . ? C1 C6 C5 117.8(3) . . ? C5 C6 C7 135.4(3) . . ? C7 C12 O1 111.3(3) . . ? C11 C12 O1 124.4(3) . . ? C11 C12 C7 124.3(3) . . ? C30 C29 C28 120.6(3) . . ? C35 C34 C33 120.9(3) . . ? C34 C35 C36 120.7(3) . . ? C27 C28 C29 120.5(3) . . ? C26 C27 C28 118.9(3) . . ? C17 C25 C24 101.1(2) . . ? C17 C25 C37 114.2(2) . . ? C24 C25 C37 113.1(2) . . ? C26 C25 C17 114.8(2) . . ? C26 C25 C24 112.9(2) . . ? C26 C25 C37 101.3(2) . . ? C2 C3 C4 122.3(3) . . ? C5 C4 C3 120.4(3) . . ? C12 C11 C10 116.6(4) . . ? C11 C10 C9 121.5(4) . . ? C9 C8 C7 119.4(4) . . ? C8 C9 C10 120.3(4) . . ? C4 C5 C6 119.7(3) . . ?