# Electronic Supplementary Material (ESI) for Chemical Communications # This journal is © The Royal Society of Chemistry 2011 data_global _journal_name_full Chem.Commun. _journal_coden_cambridge 0182 _journal_year ? _journal_volume ? _journal_page_first ? _publ_requested_category FO _publ_contact_author_name 'Jeffrey Mak' _publ_contact_author_email j.mak@uq.edu.au loop_ _publ_author_name 'Craig Williams' 'Jeffrey Mak' data_574jm76b _database_code_depnum_ccdc_archive 'CCDC 841524' #TrackingRef 'archive.cif' _audit_creation_date 2011-08-24T16:34:30-00:00 _audit_creation_method 'WinGX routine CIF_UPDATE' _audit_conform_dict_name cif_core.dic _audit_conform_dict_version 2.3 _audit_conform_dict_location ftp://ftp.iucr.org/pub/cif_core.dic #----------------------------------------------------------------------------# # CHEMICAL INFORMATION # #----------------------------------------------------------------------------# _chemical_name_systematic ; ? ; _chemical_formula_moiety 'C26 H42 O4 Si1' _chemical_formula_sum 'C26 H42 O4 Si' _chemical_formula_weight 446.7 _chemical_compound_source 'synthesis as described' _chemical_absolute_configuration ad #----------------------------------------------------------------------------# # UNIT CELL INFORMATION # #----------------------------------------------------------------------------# _symmetry_cell_setting monoclinic _symmetry_space_group_name_H-M 'C 1 2 1' _symmetry_space_group_name_Hall 'C 2y' _symmetry_Int_Tables_number 5 loop_ _symmetry_equiv_pos_as_xyz 'x, y, z' '-x, y, -z' 'x+1/2, y+1/2, z' '-x+1/2, y+1/2, -z' _cell_length_a 29.984(2) _cell_length_b 6.1034(4) _cell_length_c 15.0712(9) _cell_angle_alpha 90 _cell_angle_beta 96.152(6) _cell_angle_gamma 90 _cell_volume 2742.2(3) _cell_formula_units_Z 4 _cell_measurement_temperature 293(2) _cell_measurement_reflns_used 1984 _cell_measurement_theta_min 2.8676 _cell_measurement_theta_max 29.1922 _cell_measurement_wavelength 0.71073 #----------------------------------------------------------------------------# # CRYSTAL INFORMATION # #----------------------------------------------------------------------------# _exptl_crystal_description prism _exptl_crystal_colour colourless _exptl_crystal_size_max 0.4 _exptl_crystal_size_mid 0.2 _exptl_crystal_size_min 0.1 _exptl_crystal_density_diffrn 1.082 _exptl_crystal_density_method 'not measured' _exptl_crystal_F_000 976 _exptl_special_details ; ? ; #----------------------------------------------------------------------------# # ABSORPTION CORRECTION # #----------------------------------------------------------------------------# _exptl_absorpt_coefficient_mu 0.112 _exptl_absorpt_correction_type multi-scan _exptl_absorpt_process_details ; CrysAlisPro, Oxford Diffraction Ltd., Version 1.171.33.66 (release 28-04-2010 CrysAlis171 .NET) (compiled Apr 28 2010,14:27:37) Empirical absorption correction using spherical harmonics, implemented in SCALE3 ABSPACK scaling algorithm. ; _exptl_absorpt_correction_T_min 0.98202 _exptl_absorpt_correction_T_max 1 #----------------------------------------------------------------------------# # DATA COLLECTION # #----------------------------------------------------------------------------# _diffrn_ambient_temperature 293(2) _diffrn_radiation_wavelength 0.71073 _diffrn_radiation_type MoK\a _diffrn_radiation_monochromator graphite _diffrn_radiation_probe x-ray _diffrn_detector_area_resol_mean 16.0696 _diffrn_orient_matrix_ub_11 0.0229933 _diffrn_orient_matrix_ub_12 -0.0037444 _diffrn_orient_matrix_ub_13 0.016901 _diffrn_orient_matrix_ub_21 -0.006124 _diffrn_orient_matrix_ub_22 -0.008594 _diffrn_orient_matrix_ub_23 0.0440549 _diffrn_orient_matrix_ub_31 -0.0002854 _diffrn_orient_matrix_ub_32 -0.1157989 _diffrn_orient_matrix_ub_33 -0.0038105 _diffrn_measurement_device_type 'Xcalibur, Sapphire3, Gemini ultra' _diffrn_measurement_method '\w scans' _diffrn_reflns_av_R_equivalents 0.045 _diffrn_reflns_av_unetI/netI 0.1578 _diffrn_reflns_number 8977 _diffrn_reflns_limit_h_min -35 _diffrn_reflns_limit_h_max 35 _diffrn_reflns_limit_k_min -7 _diffrn_reflns_limit_k_max 7 _diffrn_reflns_limit_l_min -17 _diffrn_reflns_limit_l_max 17 _diffrn_reflns_theta_min 2.91 _diffrn_reflns_theta_max 25 _diffrn_reflns_theta_full 25 _diffrn_measured_fraction_theta_full 0.998 _diffrn_measured_fraction_theta_max 0.998 _reflns_number_total 4812 _reflns_number_gt 2116 _reflns_threshold_expression >2sigma(I) #----------------------------------------------------------------------------# # COMPUTER PROGRAMS USED # #----------------------------------------------------------------------------# _computing_data_collection ; CrysAlisPro, Oxford Diffraction Ltd., Version 1.171.33.66 (release 28-04-2010 CrysAlis171 .NET) (compiled Apr 28 2010,14:27:37) ; _computing_cell_refinement ; CrysAlisPro, Oxford Diffraction Ltd., Version 1.171.33.66 (release 28-04-2010 CrysAlis171 .NET) (compiled Apr 28 2010,14:27:37) ; _computing_data_reduction ; CrysAlisPro, Oxford Diffraction Ltd., Version 1.171.33.66 (release 28-04-2010 CrysAlis171 .NET) (compiled Apr 28 2010,14:27:37) ; _computing_structure_solution 'SHELXS-86 (Sheldrick, 1986)' _computing_structure_refinement 'SHELXL-97 (Sheldrick, 1997)' _computing_molecular_graphics 'Ortep-3 for Windows (Farrugia, 1997)' _computing_publication_material 'WinGX publication routines (Farrugia, 1999)' #----------------------------------------------------------------------------# # REFINEMENT INFORMATION # #----------------------------------------------------------------------------# _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^)+(0.0112P)^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 constr _refine_ls_extinction_method none _refine_ls_number_reflns 4812 _refine_ls_number_parameters 289 _refine_ls_number_restraints 1 _refine_ls_R_factor_all 0.1158 _refine_ls_R_factor_gt 0.0415 _refine_ls_wR_factor_ref 0.0564 _refine_ls_wR_factor_gt 0.0492 _refine_ls_goodness_of_fit_ref 0.705 _refine_ls_restrained_S_all 0.705 _refine_ls_shift/su_max 0.001 _refine_ls_shift/su_mean 0 _refine_ls_abs_structure_details 'Flack H D (1983), Acta Cryst. A39, 876-881' _refine_ls_abs_structure_Flack -0.10(11) _refine_diff_density_max 0.15 _refine_diff_density_min -0.127 _refine_diff_density_rms 0.027 #----------------------------------------------------------------------------# # ATOMIC TYPES, COORDINATES AND THERMAL PARAMETERS # #----------------------------------------------------------------------------# loop_ _atom_type_symbol _atom_type_description _atom_type_scat_dispersion_real _atom_type_scat_dispersion_imag _atom_type_scat_source C C 0.003 0.002 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' H H 0 0 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' O O 0.011 0.006 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' Si Si 0.082 0.07 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' 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 0.53809(11) 1.1517(6) 0.3573(2) 0.1125(16) Uani 1 1 d . . . H1A H 0.5657 1.0716 0.3581 0.169 Uiso 1 1 calc R . . H1B H 0.5313 1.1749 0.4173 0.169 Uiso 1 1 calc R . . H1C H 0.5411 1.2906 0.3287 0.169 Uiso 1 1 calc R . . C2 C 0.49349(11) 0.8036(6) 0.3560(2) 0.1066(13) Uani 1 1 d . . . H2A H 0.5212 0.7235 0.3631 0.16 Uiso 1 1 calc R . . H2B H 0.4709 0.7173 0.3224 0.16 Uiso 1 1 calc R . . H2C H 0.4842 0.8355 0.4137 0.16 Uiso 1 1 calc R . . C3 C 0.50024(10) 1.0211(5) 0.3058(2) 0.0621(10) Uani 1 1 d . . . C4 C 0.45666(11) 1.1553(6) 0.3026(2) 0.1143(15) Uani 1 1 d . . . H4A H 0.4329 1.0775 0.2683 0.171 Uiso 1 1 calc R . . H4B H 0.4609 1.2947 0.2752 0.171 Uiso 1 1 calc R . . H4C H 0.449 1.1774 0.3622 0.171 Uiso 1 1 calc R . . C5 C 0.52711(10) 1.2143(6) 0.1308(2) 0.0924(13) Uani 1 1 d . . . H5A H 0.5507 1.2935 0.1651 0.139 Uiso 1 1 calc R . . H5B H 0.5007 1.3042 0.1223 0.139 Uiso 1 1 calc R . . H5C H 0.5365 1.1765 0.0738 0.139 Uiso 1 1 calc R . . C6 C 0.46848(8) 0.8079(5) 0.12448(19) 0.0869(12) Uani 1 1 d . . . H6A H 0.4765 0.7835 0.0653 0.13 Uiso 1 1 calc R . . H6B H 0.4413 0.8922 0.1213 0.13 Uiso 1 1 calc R . . H6C H 0.4639 0.6697 0.1525 0.13 Uiso 1 1 calc R . . C7 C 0.59042(9) 0.7709(6) 0.1454(2) 0.0686(11) Uani 1 1 d . . . H7A H 0.6013 0.9115 0.1267 0.082 Uiso 1 1 calc R . . H7B H 0.5757 0.6976 0.0931 0.082 Uiso 1 1 calc R . . C8 C 0.62964(9) 0.6334(5) 0.1856(2) 0.0485(9) Uani 1 1 d . . . C9 C 0.63075(9) 0.5333(4) 0.2625(2) 0.0506(9) Uani 1 1 d . . . H9 H 0.6055 0.5415 0.2933 0.061 Uiso 1 1 calc R . . C10 C 0.67054(8) 0.4057(4) 0.30385(18) 0.0500(9) Uani 1 1 d . . . H10A H 0.667 0.2529 0.2868 0.06 Uiso 1 1 calc R . . H10B H 0.6716 0.4141 0.3683 0.06 Uiso 1 1 calc R . . C11 C 0.71443(8) 0.4911(5) 0.27521(17) 0.0383(7) Uani 1 1 d . . . C12 C 0.72374(8) 0.7214(5) 0.31417(17) 0.0495(9) Uani 1 1 d . . . H12A H 0.7247 0.7155 0.378 0.074 Uiso 1 1 calc R . . H12B H 0.7003 0.8193 0.2908 0.074 Uiso 1 1 calc R . . H12C H 0.752 0.7733 0.298 0.074 Uiso 1 1 calc R . . C13 C 0.70969(8) 0.4893(5) 0.17255(17) 0.0394(7) Uani 1 1 d . . . H13 H 0.7084 0.3369 0.1519 0.047 Uiso 1 1 calc R . . C14 C 0.66730(10) 0.6127(5) 0.1289(2) 0.0456(9) Uani 1 1 d . . . C15 C 0.72858(11) 0.8337(6) 0.10977(19) 0.0494(9) Uani 1 1 d . . . C16 C 0.74630(9) 0.6087(5) 0.12868(18) 0.0489(9) Uani 1 1 d . . . H16A H 0.7739 0.6136 0.1685 0.059 Uiso 1 1 calc R . . H16B H 0.7521 0.5358 0.0739 0.059 Uiso 1 1 calc R . . C17 C 0.75404(8) 0.3384(4) 0.30629(17) 0.0465(8) Uani 1 1 d . . . H17A H 0.7493 0.2002 0.2749 0.056 Uiso 1 1 calc R . . H17B H 0.7812 0.403 0.288 0.056 Uiso 1 1 calc R . . C18 C 0.76210(9) 0.2898(5) 0.40626(18) 0.0634(10) Uani 1 1 d . . . H18A H 0.7649 0.4266 0.4391 0.076 Uiso 1 1 calc R . . H18B H 0.7366 0.2109 0.4247 0.076 Uiso 1 1 calc R . . C19 C 0.80390(10) 0.1555(5) 0.42811(19) 0.0535(10) Uani 1 1 d . . . H19 H 0.8009 0.0053 0.4189 0.064 Uiso 1 1 calc R . . C20 C 0.84374(11) 0.2238(5) 0.4583(2) 0.0575(10) Uani 1 1 d . . . C21 C 0.85297(11) 0.4585(7) 0.4829(3) 0.1524(19) Uani 1 1 d . . . H21A H 0.8737 0.5187 0.4451 0.229 Uiso 1 1 calc R . . H21B H 0.8657 0.467 0.544 0.229 Uiso 1 1 calc R . . H21C H 0.8255 0.5401 0.4754 0.229 Uiso 1 1 calc R . . C22 C 0.88332(9) 0.0721(5) 0.4736(2) 0.0857(13) Uani 1 1 d . . . H22A H 0.9063 0.119 0.4382 0.129 Uiso 1 1 calc R . . H22B H 0.8741 -0.0742 0.4567 0.129 Uiso 1 1 calc R . . H22C H 0.8947 0.0744 0.5355 0.129 Uiso 1 1 calc R . . C23 C 0.65194(9) 0.4952(6) 0.0410(2) 0.0684(11) Uani 1 1 d . . . H23 H 0.6421 0.3515 0.0452 0.082 Uiso 1 1 calc R . . C24 C 0.65136(10) 0.5738(6) -0.0361(2) 0.0791(12) Uani 1 1 d . . . H24 H 0.6584 0.7205 -0.0439 0.095 Uiso 1 1 calc R . . C25 C 0.63880(12) 0.4233(9) -0.1189(3) 0.1014(18) Uani 1 1 d . . . C26 C 0.64308(12) 0.5403(8) -0.2039(2) 0.134(2) Uani 1 1 d . . . H26A H 0.636 0.4419 -0.2531 0.201 Uiso 1 1 calc R . . H26B H 0.6733 0.5926 -0.2042 0.201 Uiso 1 1 calc R . . H26C H 0.6227 0.662 -0.2093 0.201 Uiso 1 1 calc R . . O1 O 0.74826(7) 0.9994(4) 0.09479(14) 0.0707(7) Uani 1 1 d . . . O2 O 0.68336(6) 0.8339(3) 0.11045(12) 0.0521(6) Uani 1 1 d . . . O3 O 0.55949(6) 0.8037(4) 0.20770(14) 0.0700(7) Uani 1 1 d . . . O4 O 0.62573(11) 0.2369(7) -0.1130(2) 0.1682(17) Uani 1 1 d . . . Si1 Si 0.51446(3) 0.96061(15) 0.19124(7) 0.0594(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 0.103(3) 0.140(4) 0.090(3) -0.028(3) -0.008(3) -0.027(3) C2 0.124(3) 0.110(4) 0.092(3) 0.007(3) 0.041(3) -0.002(3) C3 0.053(2) 0.065(3) 0.069(3) -0.009(2) 0.005(2) 0.0083(19) C4 0.083(3) 0.137(4) 0.123(4) -0.036(3) 0.015(3) 0.032(3) C5 0.095(3) 0.082(3) 0.100(3) 0.026(2) 0.007(2) -0.005(2) C6 0.066(2) 0.104(3) 0.089(3) -0.018(3) -0.002(2) -0.009(2) C7 0.044(2) 0.095(3) 0.069(3) 0.008(2) 0.016(2) 0.011(2) C8 0.0299(19) 0.063(2) 0.053(2) 0.0046(19) 0.0051(19) 0.0032(18) C9 0.0399(19) 0.057(2) 0.056(2) 0.0124(18) 0.0092(18) -0.0032(17) C10 0.0495(18) 0.048(2) 0.052(2) 0.0076(16) 0.0043(18) -0.0057(17) C11 0.0359(16) 0.045(2) 0.0334(19) 0.0013(17) 0.0012(15) 0.0006(18) C12 0.054(2) 0.053(2) 0.041(2) -0.0043(17) 0.0045(17) -0.0028(17) C13 0.0365(16) 0.0402(18) 0.042(2) -0.0006(17) 0.0075(16) 0.0083(17) C14 0.0430(19) 0.058(2) 0.035(2) 0.0009(18) 0.0001(18) 0.0042(19) C15 0.053(2) 0.065(3) 0.032(2) 0.003(2) 0.0110(17) 0.003(2) C16 0.0451(19) 0.065(2) 0.038(2) -0.0038(17) 0.0086(17) 0.0187(18) C17 0.0488(18) 0.0458(18) 0.044(2) 0.0009(17) 0.0010(17) -0.0010(17) C18 0.055(2) 0.089(3) 0.046(2) 0.004(2) 0.0029(18) 0.009(2) C19 0.059(2) 0.049(2) 0.050(2) 0.0073(17) -0.0057(19) -0.0003(19) C20 0.050(2) 0.060(2) 0.063(3) -0.001(2) 0.0059(19) -0.008(2) C21 0.090(3) 0.100(3) 0.263(6) -0.046(4) 0.001(3) -0.024(3) C22 0.058(2) 0.122(3) 0.073(3) 0.013(2) -0.008(2) 0.009(2) C23 0.0411(19) 0.112(3) 0.052(2) 0.027(3) 0.003(2) 0.010(2) C24 0.056(2) 0.113(3) 0.069(3) 0.003(3) 0.010(2) -0.005(2) C25 0.048(2) 0.196(6) 0.060(3) -0.045(4) 0.003(2) -0.034(3) C26 0.093(3) 0.251(6) 0.059(3) -0.012(4) 0.007(3) -0.011(4) O1 0.0711(15) 0.0745(18) 0.0708(16) 0.0113(15) 0.0281(13) -0.0080(15) O2 0.0455(13) 0.0595(16) 0.0538(15) 0.0099(12) 0.0160(12) 0.0106(12) O3 0.0461(13) 0.0936(18) 0.0726(17) 0.0223(15) 0.0177(12) 0.0236(14) O4 0.183(3) 0.238(4) 0.078(2) -0.029(3) -0.013(2) -0.101(3) Si1 0.0470(5) 0.0649(7) 0.0654(7) 0.0019(6) 0.0022(5) 0.0033(6) #----------------------------------------------------------------------------# # MOLECULAR GEOMETRY # #----------------------------------------------------------------------------# _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 C3 1.528(4) . ? C1 H1A 0.96 . ? C1 H1B 0.96 . ? C1 H1C 0.96 . ? C2 C3 1.552(4) . ? C2 H2A 0.96 . ? C2 H2B 0.96 . ? C2 H2C 0.96 . ? C3 C4 1.538(4) . ? C3 Si1 1.859(3) . ? C4 H4A 0.96 . ? C4 H4B 0.96 . ? C4 H4C 0.96 . ? C5 Si1 1.856(3) . ? C5 H5A 0.96 . ? C5 H5B 0.96 . ? C5 H5C 0.96 . ? C6 Si1 1.867(2) . ? C6 H6A 0.96 . ? C6 H6B 0.96 . ? C6 H6C 0.96 . ? C7 O3 1.403(3) . ? C7 C8 1.517(3) . ? C7 H7A 0.97 . ? C7 H7B 0.97 . ? C8 C9 1.308(4) . ? C8 C14 1.492(4) . ? C9 C10 1.503(3) . ? C9 H9 0.93 . ? C10 C11 1.520(3) . ? C10 H10A 0.97 . ? C10 H10B 0.97 . ? C11 C12 1.537(3) . ? C11 C13 1.539(3) . ? C11 C17 1.542(3) . ? C12 H12A 0.96 . ? C12 H12B 0.96 . ? C12 H12C 0.96 . ? C13 C16 1.526(3) . ? C13 C14 1.561(3) . ? C13 H13 0.98 . ? C14 O2 1.470(3) . ? C14 C23 1.533(4) . ? C15 O1 1.205(3) . ? C15 O2 1.357(3) . ? C15 C16 1.489(4) . ? C16 H16A 0.97 . ? C16 H16B 0.97 . ? C17 C18 1.529(3) . ? C17 H17A 0.97 . ? C17 H17B 0.97 . ? C18 C19 1.504(3) . ? C18 H18A 0.97 . ? C18 H18B 0.97 . ? C19 C20 1.300(3) . ? C19 H19 0.93 . ? C20 C21 1.498(4) . ? C20 C22 1.504(4) . ? C21 H21A 0.96 . ? C21 H21B 0.96 . ? C21 H21C 0.96 . ? C22 H22A 0.96 . ? C22 H22B 0.96 . ? C22 H22C 0.96 . ? C23 C24 1.256(4) . ? C23 H23 0.93 . ? C24 C25 1.563(5) . ? C24 H24 0.93 . ? C25 O4 1.210(5) . ? C25 C26 1.484(6) . ? C26 H26A 0.96 . ? C26 H26B 0.96 . ? C26 H26C 0.96 . ? O3 Si1 1.6523(19) . ? 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 C1 H1A 109.5 . . ? C3 C1 H1B 109.5 . . ? H1A C1 H1B 109.5 . . ? C3 C1 H1C 109.5 . . ? H1A C1 H1C 109.5 . . ? H1B C1 H1C 109.5 . . ? C3 C2 H2A 109.5 . . ? C3 C2 H2B 109.5 . . ? H2A C2 H2B 109.5 . . ? C3 C2 H2C 109.5 . . ? H2A C2 H2C 109.5 . . ? H2B C2 H2C 109.5 . . ? C1 C3 C4 108.7(3) . . ? C1 C3 C2 109.1(3) . . ? C4 C3 C2 108.4(3) . . ? C1 C3 Si1 110.1(2) . . ? C4 C3 Si1 110.8(2) . . ? C2 C3 Si1 109.7(2) . . ? C3 C4 H4A 109.5 . . ? C3 C4 H4B 109.5 . . ? H4A C4 H4B 109.5 . . ? C3 C4 H4C 109.5 . . ? H4A C4 H4C 109.5 . . ? H4B C4 H4C 109.5 . . ? Si1 C5 H5A 109.5 . . ? Si1 C5 H5B 109.5 . . ? H5A C5 H5B 109.5 . . ? Si1 C5 H5C 109.5 . . ? H5A C5 H5C 109.5 . . ? H5B C5 H5C 109.5 . . ? Si1 C6 H6A 109.5 . . ? Si1 C6 H6B 109.5 . . ? H6A C6 H6B 109.5 . . ? Si1 C6 H6C 109.5 . . ? H6A C6 H6C 109.5 . . ? H6B C6 H6C 109.5 . . ? O3 C7 C8 110.6(3) . . ? O3 C7 H7A 109.5 . . ? C8 C7 H7A 109.5 . . ? O3 C7 H7B 109.5 . . ? C8 C7 H7B 109.5 . . ? H7A C7 H7B 108.1 . . ? C9 C8 C14 121.2(3) . . ? C9 C8 C7 123.9(3) . . ? C14 C8 C7 114.9(3) . . ? C8 C9 C10 123.6(3) . . ? C8 C9 H9 118.2 . . ? C10 C9 H9 118.2 . . ? C9 C10 C11 112.2(2) . . ? C9 C10 H10A 109.2 . . ? C11 C10 H10A 109.2 . . ? C9 C10 H10B 109.2 . . ? C11 C10 H10B 109.2 . . ? H10A C10 H10B 107.9 . . ? C10 C11 C12 109.4(2) . . ? C10 C11 C13 107.1(2) . . ? C12 C11 C13 112.6(2) . . ? C10 C11 C17 111.6(2) . . ? C12 C11 C17 109.51(19) . . ? C13 C11 C17 106.6(2) . . ? C11 C12 H12A 109.5 . . ? C11 C12 H12B 109.5 . . ? H12A C12 H12B 109.5 . . ? C11 C12 H12C 109.5 . . ? H12A C12 H12C 109.5 . . ? H12B C12 H12C 109.5 . . ? C16 C13 C11 116.1(2) . . ? C16 C13 C14 100.3(2) . . ? C11 C13 C14 113.8(2) . . ? C16 C13 H13 108.8 . . ? C11 C13 H13 108.8 . . ? C14 C13 H13 108.8 . . ? O2 C14 C8 108.3(3) . . ? O2 C14 C23 109.9(3) . . ? C8 C14 C23 111.0(3) . . ? O2 C14 C13 104.7(2) . . ? C8 C14 C13 115.6(3) . . ? C23 C14 C13 107.1(2) . . ? O1 C15 O2 120.7(3) . . ? O1 C15 C16 129.7(3) . . ? O2 C15 C16 109.6(3) . . ? C15 C16 C13 105.4(2) . . ? C15 C16 H16A 110.7 . . ? C13 C16 H16A 110.7 . . ? C15 C16 H16B 110.7 . . ? C13 C16 H16B 110.7 . . ? H16A C16 H16B 108.8 . . ? C18 C17 C11 116.9(2) . . ? C18 C17 H17A 108.1 . . ? C11 C17 H17A 108.1 . . ? C18 C17 H17B 108.1 . . ? C11 C17 H17B 108.1 . . ? H17A C17 H17B 107.3 . . ? C19 C18 C17 111.2(3) . . ? C19 C18 H18A 109.4 . . ? C17 C18 H18A 109.4 . . ? C19 C18 H18B 109.4 . . ? C17 C18 H18B 109.4 . . ? H18A C18 H18B 108 . . ? C20 C19 C18 127.9(3) . . ? C20 C19 H19 116 . . ? C18 C19 H19 116 . . ? C19 C20 C21 122.1(3) . . ? C19 C20 C22 122.4(3) . . ? C21 C20 C22 115.4(3) . . ? C20 C21 H21A 109.5 . . ? C20 C21 H21B 109.5 . . ? H21A C21 H21B 109.5 . . ? C20 C21 H21C 109.5 . . ? H21A C21 H21C 109.5 . . ? H21B C21 H21C 109.5 . . ? C20 C22 H22A 109.5 . . ? C20 C22 H22B 109.5 . . ? H22A C22 H22B 109.5 . . ? C20 C22 H22C 109.5 . . ? H22A C22 H22C 109.5 . . ? H22B C22 H22C 109.5 . . ? C24 C23 C14 126.4(4) . . ? C24 C23 H23 116.8 . . ? C14 C23 H23 116.8 . . ? C23 C24 C25 119.5(4) . . ? C23 C24 H24 120.2 . . ? C25 C24 H24 120.2 . . ? O4 C25 C26 125.1(5) . . ? O4 C25 C24 123.1(5) . . ? C26 C25 C24 111.7(4) . . ? C25 C26 H26A 109.5 . . ? C25 C26 H26B 109.5 . . ? H26A C26 H26B 109.5 . . ? C25 C26 H26C 109.5 . . ? H26A C26 H26C 109.5 . . ? H26B C26 H26C 109.5 . . ? C15 O2 C14 110.4(2) . . ? C7 O3 Si1 124.76(19) . . ? O3 Si1 C5 110.52(13) . . ? O3 Si1 C3 103.93(13) . . ? C5 Si1 C3 111.67(16) . . ? O3 Si1 C6 109.64(13) . . ? C5 Si1 C6 109.26(13) . . ? C3 Si1 C6 111.72(14) . . ?