data_k04041 _audit_creation_method SHELXL-97 _chemical_name_systematic ; ? ; _chemical_name_common ? _chemical_melting_point ? _chemical_formula_moiety ? _chemical_formula_sum 'C24 H32 O4 Si' _chemical_formula_weight 412.59 loop_ _atom_type_symbol _atom_type_description _atom_type_scat_dispersion_real _atom_type_scat_dispersion_imag _atom_type_scat_source 'C' 'C' .0033 .0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' 'H' 'H' .0000 .0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' 'O' 'O' .0106 .0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' 'Si' 'Si' .0817 .0704 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' _symmetry_cell_setting orthorhombic _symmetry_space_group_name_H-M 'A b a 2' 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' 'x, y+1/2, z+1/2' '-x, -y+1/2, z+1/2' '-x+1/2, y+1, z+1/2' 'x+1/2, -y+1, z+1/2' _cell_length_a 13.78770(10) _cell_length_b 27.9022(2) _cell_length_c 11.44220(10) _cell_angle_alpha 90.00 _cell_angle_beta 90.00 _cell_angle_gamma 90.00 _cell_volume 4401.90(6) _cell_formula_units_Z 8 _cell_measurement_temperature 90.0(2) _cell_measurement_reflns_used 2816 _cell_measurement_theta_min 1.00 _cell_measurement_theta_max 27.48 _exptl_crystal_description 'irregular block' _exptl_crystal_colour colourless _exptl_crystal_size_max 0.42 _exptl_crystal_size_mid 0.20 _exptl_crystal_size_min 0.12 _exptl_crystal_density_meas ? _exptl_crystal_density_diffrn 1.245 _exptl_crystal_density_method 'not measured' _exptl_crystal_F_000 1776 _exptl_absorpt_coefficient_mu 0.134 _exptl_absorpt_correction_type multi-scan _exptl_absorpt_correction_T_min 0.9460 _exptl_absorpt_correction_T_max 0.9841 _exptl_absorpt_process_details 'Scalepack (Otwinowski & Minor, 1997)' _exptl_special_details ; ? ; _diffrn_ambient_temperature 90.0(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 'Nonius KappaCCD diffractometer _diffrn_measurement_method '\w scans at fixed \c = 55\%' _diffrn_detector_area_resol_mean 18 _diffrn_standards_number ? _diffrn_standards_interval_count ? _diffrn_standards_interval_time ? _diffrn_standards_decay_% ? _diffrn_reflns_number 4899 _diffrn_reflns_av_R_equivalents 0.0000 _diffrn_reflns_av_sigmaI/netI 0.0286 _diffrn_reflns_limit_h_min -17 _diffrn_reflns_limit_h_max 17 _diffrn_reflns_limit_k_min -36 _diffrn_reflns_limit_k_max 35 _diffrn_reflns_limit_l_min -14 _diffrn_reflns_limit_l_max 14 _diffrn_reflns_theta_min 1.46 _diffrn_reflns_theta_max 27.48 _reflns_number_total 4899 _reflns_number_gt 4478 _reflns_threshold_expression >2\s(I) _computing_data_collection 'COLLECT (Nonius, 1998)' _computing_cell_refinement 'SCALEPACK (Otwinowski & Minor, 1997)' _computing_data_reduction 'DENZO-SMN (Otwinowski & Minor, 1997)' _computing_structure_solution 'SHELXS-97 (Sheldrick, 1990)' _computing_structure_refinement 'SHELXL-97 (Sheldrick, 1997)' _computing_molecular_graphics 'XP in SHELXTL (Sheldrick, 1994)' _computing_publication_material ; SHELX97-2 (Sheldrick, 1997) and local procedures ; _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^)+(0.0397P)^2^+1.7921P] 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 0.50 _refine_ls_number_reflns 4899 _refine_ls_number_parameters 267 _refine_ls_number_restraints 1 _refine_ls_R_factor_all 0.0380 _refine_ls_R_factor_gt 0.0317 _refine_ls_wR_factor_ref 0.0760 _refine_ls_wR_factor_gt 0.0730 _refine_ls_goodness_of_fit_ref 1.031 _refine_ls_restrained_S_all 1.031 _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 Si1 Si 0.59210(3) 0.139929(14) 0.69923(4) 0.01433(9) Uani 1 1 d . . . O1 O 0.32903(8) 0.01898(4) 0.75383(10) 0.0213(2) Uani 1 1 d . . . O2 O 0.49025(8) 0.22026(4) 0.97089(11) 0.0244(3) Uani 1 1 d . . . O3 O 0.57574(8) 0.15213(4) 0.95964(10) 0.0177(2) Uani 1 1 d . . . O4 O 0.39935(8) 0.11662(4) 1.06541(10) 0.0199(2) Uani 1 1 d . . . C1 C 0.42209(11) 0.14961(5) 0.87215(13) 0.0137(3) Uani 1 1 d . . . C2 C 0.46997(11) 0.12205(5) 0.76647(13) 0.0139(3) Uani 1 1 d . . . H2 H 0.4227 0.1265 0.7011 0.017 Uiso 1 1 calc R . . C3 C 0.47052(11) 0.06721(5) 0.78741(13) 0.0153(3) Uani 1 1 d . . . H3A H 0.4972 0.0507 0.7179 0.018 Uiso 1 1 calc R . . H3B H 0.5123 0.0596 0.8552 0.018 Uiso 1 1 calc R . . C4 C 0.36894(11) 0.05000(5) 0.81023(13) 0.0157(3) Uani 1 1 d . . . C5 C 0.31559(11) 0.07613(5) 0.90959(13) 0.0155(3) Uani 1 1 d . . . C6 C 0.22714(11) 0.10349(6) 0.85768(14) 0.0206(3) Uani 1 1 d . . . H6A H 0.1865 0.0807 0.8130 0.025 Uiso 1 1 calc R . . H6B H 0.1873 0.1163 0.9226 0.025 Uiso 1 1 calc R . . C7 C 0.25624(11) 0.14480(5) 0.77757(14) 0.0181(3) Uani 1 1 d . . . H7A H 0.1973 0.1630 0.7559 0.022 Uiso 1 1 calc R . . H7B H 0.2842 0.1314 0.7049 0.022 Uiso 1 1 calc R . . C8 C 0.32996(11) 0.17957(5) 0.83201(14) 0.0168(3) Uani 1 1 d . . . C9 C 0.38243(10) 0.11368(5) 0.96164(14) 0.0151(3) Uani 1 1 d . . . C10 C 0.35811(12) 0.21754(6) 0.74060(15) 0.0215(4) Uani 1 1 d . . . H10A H 0.2998 0.2347 0.7149 0.032 Uiso 1 1 calc R . . H10B H 0.3885 0.2018 0.6734 0.032 Uiso 1 1 calc R . . H10C H 0.4039 0.2403 0.7753 0.032 Uiso 1 1 calc R . . C11 C 0.28117(12) 0.20531(6) 0.93607(15) 0.0240(4) Uani 1 1 d . . . H11A H 0.3222 0.2320 0.9618 0.036 Uiso 1 1 calc R . . H11B H 0.2726 0.1826 1.0007 0.036 Uiso 1 1 calc R . . H11C H 0.2177 0.2176 0.9118 0.036 Uiso 1 1 calc R . . C12 C 0.49720(11) 0.17937(5) 0.93865(14) 0.0166(3) Uani 1 1 d . . . C13 C 0.65024(12) 0.17413(6) 1.03120(15) 0.0233(4) Uani 1 1 d . . . H13A H 0.6655 0.2060 1.0004 0.035 Uiso 1 1 calc R . . H13B H 0.7087 0.1542 1.0298 0.035 Uiso 1 1 calc R . . H13C H 0.6268 0.1771 1.1118 0.035 Uiso 1 1 calc R . . C14 C 0.27972(12) 0.03943(6) 1.00075(14) 0.0200(3) Uani 1 1 d . . . H14A H 0.2487 0.0570 1.0659 0.024 Uiso 1 1 calc R . . H14B H 0.2295 0.0190 0.9641 0.024 Uiso 1 1 calc R . . C15 C 0.35757(12) 0.00771(6) 1.04986(15) 0.0212(3) Uani 1 1 d . . . H15 H 0.4081 0.0222 1.0939 0.025 Uiso 1 1 calc R . . C16 C 0.35978(13) -0.03913(6) 1.03534(15) 0.0252(4) Uani 1 1 d . . . H16A H 0.3102 -0.0546 0.9917 0.030 Uiso 1 1 calc R . . H16B H 0.4109 -0.0574 1.0685 0.030 Uiso 1 1 calc R . . C17 C 0.61792(11) 0.20559(5) 0.70619(16) 0.0206(3) Uani 1 1 d . . . H17A H 0.6305 0.2149 0.7874 0.031 Uiso 1 1 calc R . . H17B H 0.5619 0.2234 0.6765 0.031 Uiso 1 1 calc R . . H17C H 0.6750 0.2129 0.6583 0.031 Uiso 1 1 calc R . . C18 C 0.69697(11) 0.10510(6) 0.75715(14) 0.0199(3) Uani 1 1 d . . . H18A H 0.7519 0.1080 0.7033 0.030 Uiso 1 1 calc R . . H18B H 0.6787 0.0713 0.7648 0.030 Uiso 1 1 calc R . . H18C H 0.7155 0.1177 0.8339 0.030 Uiso 1 1 calc R . . C19 C 0.57368(11) 0.12371(6) 0.54086(13) 0.0175(3) Uani 1 1 d . . . C20 C 0.53745(11) 0.15768(6) 0.46127(15) 0.0218(3) Uani 1 1 d . . . H20 H 0.5269 0.1897 0.4864 0.026 Uiso 1 1 calc R . . C21 C 0.51694(12) 0.14510(7) 0.34646(15) 0.0274(4) Uani 1 1 d . . . H21 H 0.4922 0.1685 0.2940 0.033 Uiso 1 1 calc R . . C22 C 0.53214(12) 0.09899(8) 0.30816(16) 0.0308(4) Uani 1 1 d . . . H22 H 0.5174 0.0906 0.2297 0.037 Uiso 1 1 calc R . . C23 C 0.56882(13) 0.06492(7) 0.38363(16) 0.0301(4) Uani 1 1 d . . . H23 H 0.5799 0.0331 0.3570 0.036 Uiso 1 1 calc R . . C24 C 0.58970(11) 0.07726(6) 0.49931(15) 0.0216(3) Uani 1 1 d . . . H24 H 0.6152 0.0537 0.5506 0.026 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 Si1 0.01461(19) 0.01408(18) 0.01431(18) 0.00058(18) 0.00054(17) -0.00076(15) O1 0.0241(6) 0.0190(6) 0.0208(6) -0.0015(5) -0.0034(5) -0.0044(5) O2 0.0291(6) 0.0152(5) 0.0290(6) -0.0055(5) -0.0054(5) 0.0017(5) O3 0.0169(5) 0.0165(5) 0.0198(6) -0.0027(4) -0.0058(5) -0.0008(4) O4 0.0242(6) 0.0226(6) 0.0130(5) -0.0017(4) -0.0007(4) 0.0017(4) C1 0.0144(7) 0.0131(7) 0.0135(7) -0.0007(6) -0.0014(6) 0.0026(5) C2 0.0137(7) 0.0144(7) 0.0136(7) -0.0001(6) -0.0009(6) 0.0001(5) C3 0.0172(7) 0.0136(7) 0.0151(7) -0.0012(6) 0.0022(6) -0.0003(6) C4 0.0193(8) 0.0132(7) 0.0145(7) 0.0028(6) -0.0025(6) 0.0000(6) C5 0.0143(7) 0.0164(7) 0.0159(7) 0.0021(6) -0.0002(6) -0.0009(6) C6 0.0150(8) 0.0235(8) 0.0233(9) 0.0018(7) -0.0010(6) 0.0026(6) C7 0.0142(7) 0.0219(8) 0.0184(8) 0.0024(6) -0.0031(6) 0.0043(6) C8 0.0163(7) 0.0171(7) 0.0170(7) 0.0008(6) -0.0021(6) 0.0058(6) C9 0.0135(7) 0.0155(7) 0.0162(7) 0.0001(6) 0.0007(6) 0.0046(6) C10 0.0229(9) 0.0172(8) 0.0243(9) 0.0025(6) -0.0027(7) 0.0038(6) C11 0.0241(9) 0.0227(8) 0.0252(9) -0.0025(7) 0.0012(7) 0.0090(6) C12 0.0196(8) 0.0164(8) 0.0137(7) 0.0011(6) -0.0005(6) -0.0003(6) C13 0.0237(8) 0.0234(9) 0.0228(9) -0.0010(7) -0.0094(7) -0.0046(7) C14 0.0199(8) 0.0214(8) 0.0187(8) 0.0035(6) 0.0036(6) -0.0020(6) C15 0.0238(9) 0.0229(8) 0.0171(7) 0.0041(7) -0.0003(7) -0.0026(6) C16 0.0277(9) 0.0284(9) 0.0196(8) 0.0033(7) 0.0023(7) 0.0011(7) C17 0.0229(8) 0.0176(7) 0.0214(7) 0.0007(7) 0.0012(7) -0.0038(6) C18 0.0167(8) 0.0230(8) 0.0201(8) 0.0023(7) 0.0014(6) 0.0003(6) C19 0.0148(8) 0.0207(8) 0.0169(8) 0.0009(6) 0.0015(6) -0.0028(6) C20 0.0190(8) 0.0259(8) 0.0204(8) 0.0029(7) 0.0019(7) -0.0010(6) C21 0.0187(8) 0.0441(11) 0.0194(9) 0.0075(8) -0.0004(6) 0.0005(8) C22 0.0190(9) 0.0576(13) 0.0158(8) -0.0091(8) 0.0008(7) -0.0037(8) C23 0.0268(10) 0.0374(10) 0.0262(9) -0.0123(8) 0.0027(7) -0.0005(8) C24 0.0188(8) 0.0253(8) 0.0208(8) -0.0017(7) 0.0020(6) -0.0003(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 Si1 C18 1.8640(16) . ? Si1 C17 1.8681(15) . ? Si1 C19 1.8849(16) . ? Si1 C2 1.9174(15) . ? O1 C4 1.2118(19) . ? O2 C12 1.2027(19) . ? O3 C12 1.3446(18) . ? O3 C13 1.4500(18) . ? O4 C9 1.2129(19) . ? C1 C12 1.530(2) . ? C1 C9 1.534(2) . ? C1 C2 1.578(2) . ? C1 C8 1.588(2) . ? C2 C3 1.549(2) . ? C2 H2 1.0000 . ? C3 C4 1.503(2) . ? C3 H3A 0.9900 . ? C3 H3B 0.9900 . ? C4 C5 1.538(2) . ? C5 C9 1.517(2) . ? C5 C14 1.543(2) . ? C5 C6 1.557(2) . ? C6 C7 1.526(2) . ? C6 H6A 0.9900 . ? C6 H6B 0.9900 . ? C7 C8 1.537(2) . ? C7 H7A 0.9900 . ? C7 H7B 0.9900 . ? C8 C10 1.538(2) . ? C8 C11 1.545(2) . ? C10 H10A 0.9800 . ? C10 H10B 0.9800 . ? C10 H10C 0.9800 . ? C11 H11A 0.9800 . ? C11 H11B 0.9800 . ? C11 H11C 0.9800 . ? C13 H13A 0.9800 . ? C13 H13B 0.9800 . ? C13 H13C 0.9800 . ? C14 C15 1.500(2) . ? C14 H14A 0.9900 . ? C14 H14B 0.9900 . ? C15 C16 1.318(2) . ? C15 H15 0.9500 . ? C16 H16A 0.9500 . ? C16 H16B 0.9500 . ? C17 H17A 0.9800 . ? C17 H17B 0.9800 . ? C17 H17C 0.9800 . ? C18 H18A 0.9800 . ? C18 H18B 0.9800 . ? C18 H18C 0.9800 . ? C19 C24 1.398(2) . ? C19 C20 1.406(2) . ? C20 C21 1.389(3) . ? C20 H20 0.9500 . ? C21 C22 1.375(3) . ? C21 H21 0.9500 . ? C22 C23 1.380(3) . ? C22 H22 0.9500 . ? C23 C24 1.398(2) . ? C23 H23 0.9500 . ? C24 H24 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 C18 Si1 C17 110.39(7) . . ? C18 Si1 C19 108.73(7) . . ? C17 Si1 C19 107.59(8) . . ? C18 Si1 C2 113.76(7) . . ? C17 Si1 C2 113.92(7) . . ? C19 Si1 C2 101.82(7) . . ? C12 O3 C13 115.60(12) . . ? C12 C1 C9 105.31(12) . . ? C12 C1 C2 111.25(12) . . ? C9 C1 C2 110.01(11) . . ? C12 C1 C8 113.54(12) . . ? C9 C1 C8 104.59(11) . . ? C2 C1 C8 111.68(12) . . ? C3 C2 C1 111.41(12) . . ? C3 C2 Si1 108.35(10) . . ? C1 C2 Si1 123.24(10) . . ? C3 C2 H2 103.9 . . ? C1 C2 H2 103.9 . . ? Si1 C2 H2 103.9 . . ? C4 C3 C2 109.75(12) . . ? C4 C3 H3A 109.7 . . ? C2 C3 H3A 109.7 . . ? C4 C3 H3B 109.7 . . ? C2 C3 H3B 109.7 . . ? H3A C3 H3B 108.2 . . ? O1 C4 C3 123.96(14) . . ? O1 C4 C5 121.00(14) . . ? C3 C4 C5 115.00(12) . . ? C9 C5 C4 109.09(12) . . ? C9 C5 C14 112.81(13) . . ? C4 C5 C14 109.79(12) . . ? C9 C5 C6 106.68(12) . . ? C4 C5 C6 108.97(12) . . ? C14 C5 C6 109.41(12) . . ? C7 C6 C5 113.18(12) . . ? C7 C6 H6A 108.9 . . ? C5 C6 H6A 108.9 . . ? C7 C6 H6B 108.9 . . ? C5 C6 H6B 108.9 . . ? H6A C6 H6B 107.8 . . ? C6 C7 C8 114.02(13) . . ? C6 C7 H7A 108.7 . . ? C8 C7 H7A 108.7 . . ? C6 C7 H7B 108.7 . . ? C8 C7 H7B 108.7 . . ? H7A C7 H7B 107.6 . . ? C7 C8 C10 109.02(13) . . ? C7 C8 C11 108.53(13) . . ? C10 C8 C11 108.29(13) . . ? C7 C8 C1 108.29(12) . . ? C10 C8 C1 110.93(12) . . ? C11 C8 C1 111.72(13) . . ? O4 C9 C5 123.22(14) . . ? O4 C9 C1 122.73(14) . . ? C5 C9 C1 113.95(12) . . ? C8 C10 H10A 109.5 . . ? C8 C10 H10B 109.5 . . ? H10A C10 H10B 109.5 . . ? C8 C10 H10C 109.5 . . ? H10A C10 H10C 109.5 . . ? H10B C10 H10C 109.5 . . ? C8 C11 H11A 109.5 . . ? C8 C11 H11B 109.5 . . ? H11A C11 H11B 109.5 . . ? C8 C11 H11C 109.5 . . ? H11A C11 H11C 109.5 . . ? H11B C11 H11C 109.5 . . ? O2 C12 O3 123.06(14) . . ? O2 C12 C1 127.83(14) . . ? O3 C12 C1 109.09(12) . . ? O3 C13 H13A 109.5 . . ? O3 C13 H13B 109.5 . . ? H13A C13 H13B 109.5 . . ? O3 C13 H13C 109.5 . . ? H13A C13 H13C 109.5 . . ? H13B C13 H13C 109.5 . . ? C15 C14 C5 114.54(13) . . ? C15 C14 H14A 108.6 . . ? C5 C14 H14A 108.6 . . ? C15 C14 H14B 108.6 . . ? C5 C14 H14B 108.6 . . ? H14A C14 H14B 107.6 . . ? C16 C15 C14 123.67(16) . . ? C16 C15 H15 118.2 . . ? C14 C15 H15 118.2 . . ? C15 C16 H16A 120.0 . . ? C15 C16 H16B 120.0 . . ? H16A C16 H16B 120.0 . . ? Si1 C17 H17A 109.5 . . ? Si1 C17 H17B 109.5 . . ? H17A C17 H17B 109.5 . . ? Si1 C17 H17C 109.5 . . ? H17A C17 H17C 109.5 . . ? H17B C17 H17C 109.5 . . ? Si1 C18 H18A 109.5 . . ? Si1 C18 H18B 109.5 . . ? H18A C18 H18B 109.5 . . ? Si1 C18 H18C 109.5 . . ? H18A C18 H18C 109.5 . . ? H18B C18 H18C 109.5 . . ? C24 C19 C20 117.43(15) . . ? C24 C19 Si1 121.89(12) . . ? C20 C19 Si1 120.58(13) . . ? C21 C20 C19 120.97(17) . . ? C21 C20 H20 119.5 . . ? C19 C20 H20 119.5 . . ? C22 C21 C20 120.45(17) . . ? C22 C21 H21 119.8 . . ? C20 C21 H21 119.8 . . ? C21 C22 C23 120.05(16) . . ? C21 C22 H22 120.0 . . ? C23 C22 H22 120.0 . . ? C22 C23 C24 119.90(17) . . ? C22 C23 H23 120.1 . . ? C24 C23 H23 120.1 . . ? C23 C24 C19 121.19(16) . . ? C23 C24 H24 119.4 . . ? C19 C24 H24 119.4 . . ? 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 C12 C1 C2 C3 111.90(13) . . . . ? C9 C1 C2 C3 -4.40(17) . . . . ? C8 C1 C2 C3 -120.08(13) . . . . ? C12 C1 C2 Si1 -19.50(17) . . . . ? C9 C1 C2 Si1 -135.81(11) . . . . ? C8 C1 C2 Si1 108.51(13) . . . . ? C18 Si1 C2 C3 -36.23(12) . . . . ? C17 Si1 C2 C3 -163.94(10) . . . . ? C19 Si1 C2 C3 80.56(11) . . . . ? C18 Si1 C2 C1 96.40(13) . . . . ? C17 Si1 C2 C1 -31.30(14) . . . . ? C19 Si1 C2 C1 -146.81(12) . . . . ? C1 C2 C3 C4 55.96(16) . . . . ? Si1 C2 C3 C4 -165.42(10) . . . . ? C2 C3 C4 O1 123.63(16) . . . . ? C2 C3 C4 C5 -54.20(16) . . . . ? O1 C4 C5 C9 -178.47(13) . . . . ? C3 C4 C5 C9 -0.56(17) . . . . ? O1 C4 C5 C14 57.45(19) . . . . ? C3 C4 C5 C14 -124.65(14) . . . . ? O1 C4 C5 C6 -62.36(18) . . . . ? C3 C4 C5 C6 115.55(14) . . . . ? C9 C5 C6 C7 50.65(17) . . . . ? C4 C5 C6 C7 -67.00(16) . . . . ? C14 C5 C6 C7 172.96(13) . . . . ? C5 C6 C7 C8 -51.44(18) . . . . ? C6 C7 C8 C10 176.50(13) . . . . ? C6 C7 C8 C11 -65.74(16) . . . . ? C6 C7 C8 C1 55.71(17) . . . . ? C12 C1 C8 C7 -174.46(13) . . . . ? C9 C1 C8 C7 -60.18(15) . . . . ? C2 C1 C8 C7 58.76(16) . . . . ? C12 C1 C8 C10 65.94(17) . . . . ? C9 C1 C8 C10 -179.78(12) . . . . ? C2 C1 C8 C10 -60.84(16) . . . . ? C12 C1 C8 C11 -54.99(17) . . . . ? C9 C1 C8 C11 59.28(15) . . . . ? C2 C1 C8 C11 178.23(13) . . . . ? C4 C5 C9 O4 -127.81(15) . . . . ? C14 C5 C9 O4 -5.5(2) . . . . ? C6 C5 C9 O4 114.62(16) . . . . ? C4 C5 C9 C1 55.68(16) . . . . ? C14 C5 C9 C1 177.96(12) . . . . ? C6 C5 C9 C1 -61.89(15) . . . . ? C12 C1 C9 O4 10.95(18) . . . . ? C2 C1 C9 O4 130.92(14) . . . . ? C8 C1 C9 O4 -109.00(16) . . . . ? C12 C1 C9 C5 -172.52(12) . . . . ? C2 C1 C9 C5 -52.55(16) . . . . ? C8 C1 C9 C5 67.53(15) . . . . ? C13 O3 C12 O2 4.0(2) . . . . ? C13 O3 C12 C1 -174.83(13) . . . . ? C9 C1 C12 O2 -107.17(18) . . . . ? C2 C1 C12 O2 133.68(17) . . . . ? C8 C1 C12 O2 6.7(2) . . . . ? C9 C1 C12 O3 71.58(14) . . . . ? C2 C1 C12 O3 -47.57(16) . . . . ? C8 C1 C12 O3 -174.57(12) . . . . ? C9 C5 C14 C15 -66.44(17) . . . . ? C4 C5 C14 C15 55.45(17) . . . . ? C6 C5 C14 C15 174.99(14) . . . . ? C5 C14 C15 C16 -116.28(18) . . . . ? C18 Si1 C19 C24 35.50(15) . . . . ? C17 Si1 C19 C24 155.06(13) . . . . ? C2 Si1 C19 C24 -84.88(14) . . . . ? C18 Si1 C19 C20 -148.32(12) . . . . ? C17 Si1 C19 C20 -28.76(14) . . . . ? C2 Si1 C19 C20 91.30(13) . . . . ? C24 C19 C20 C21 1.1(2) . . . . ? Si1 C19 C20 C21 -175.24(12) . . . . ? C19 C20 C21 C22 -0.3(3) . . . . ? C20 C21 C22 C23 -0.6(3) . . . . ? C21 C22 C23 C24 0.6(3) . . . . ? C22 C23 C24 C19 0.3(3) . . . . ? C20 C19 C24 C23 -1.1(2) . . . . ? Si1 C19 C24 C23 175.17(13) . . . . ? _diffrn_measured_fraction_theta_max 1.000 _diffrn_reflns_theta_full 27.48 _diffrn_measured_fraction_theta_full 1.000 _refine_diff_density_max .195 _refine_diff_density_min -.167 _refine_diff_density_rms .040