# Supplementary Information (SI) for ChemComm.
# This journal is © The Royal Society of Chemistry 2025

####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
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data_cxy1670_0m
_audit_block_doi                 10.5517/ccdc.csd.cc2m9nj4
_database_code_depnum_ccdc_archive 'CCDC 2422356'
loop_
_audit_author_name
_audit_author_address
'Louxi CHEN'
;Southern university of Science and Technology
China
;
_audit_update_record             
;
2025-02-08 deposited with the CCDC.	2025-06-10 downloaded from the CCDC.
;
_audit_creation_date             2021-04-13
_audit_creation_method           
;
Olex2 1.3
(compiled 2020.11.12 svn.r5f609507 for OlexSys, GUI svn.r6272)
;
_shelx_SHELXL_version_number     2016/6
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C25 H42 O3 Si'
_chemical_formula_sum            'C25 H42 O3 Si'
_chemical_formula_weight         418.67
_chemical_absolute_configuration ad
_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 0.0181 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'
Si Si 0.2541 0.3302 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_shelx_space_group_comment       
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_space_group_crystal_system      orthorhombic
_space_group_IT_number           19
_space_group_name_H-M_alt        'P 21 21 21'
_space_group_name_Hall           'P 2ac 2ab'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'x+1/2, -y+1/2, -z'
'-x, y+1/2, -z+1/2'
'-x+1/2, -y, z+1/2'

_cell_length_a                   9.6772(4)
_cell_length_b                   10.2693(4)
_cell_length_c                   24.1618(9)
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_volume                     2401.15(16)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    9829
_cell_measurement_temperature    100
_cell_measurement_theta_max      68.42
_cell_measurement_theta_min      3.66
_shelx_estimated_absorpt_T_max   ?
_shelx_estimated_absorpt_T_min   ?
_exptl_absorpt_coefficient_mu    1.026
_exptl_absorpt_correction_T_max  0.7531
_exptl_absorpt_correction_T_min  0.6759
_exptl_absorpt_correction_type   none
_exptl_absorpt_process_details   
;
SADABS-2016/2 (Bruker,2016/2) was used for absorption correction.
wR2(int) was 0.0721 before and 0.0539 after correction.
The Ratio of minimum to maximum transmission is 0.8975.
The λ/2 correction factor is Not present.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            colourless
_exptl_crystal_colour_primary    colourless
_exptl_crystal_density_diffrn    1.158
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             920
_exptl_crystal_size_max          0.41
_exptl_crystal_size_mid          0.36
_exptl_crystal_size_min          0.29
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0347
_diffrn_reflns_av_unetI/netI     0.0256
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 1.000
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_k_min       -11
_diffrn_reflns_limit_l_max       29
_diffrn_reflns_limit_l_min       -28
_diffrn_reflns_number            19049
_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.998
_diffrn_reflns_theta_full        67.679
_diffrn_reflns_theta_max         68.424
_diffrn_reflns_theta_min         3.659
_diffrn_ambient_temperature      100.0
_diffrn_detector                 'Bruker PHOTON 100 area detector'
_diffrn_detector_area_resol_mean 7.9
_diffrn_detector_type            'CMOS area detector'
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 1.000
_diffrn_measurement_device       'three-circle diffractometer'
_diffrn_measurement_device_type  'Bruker CMOS area detector'
_diffrn_measurement_method       'ω and φ scans'
_diffrn_radiation_monochromator  'mirror optics'
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54178
_diffrn_source                   'microfocus sealed X-ray tube'
_diffrn_source_current           1.0
_diffrn_source_power             0.05
_diffrn_source_type              'Incoatec I\ms'
_diffrn_source_voltage           50.0
_diffrn_standards_number         0
_reflns_Friedel_coverage         0.744
_reflns_Friedel_fraction_full    0.999
_reflns_Friedel_fraction_max     0.997
_reflns_number_gt                4302
_reflns_number_total             4411
_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       'SAINT V8.38A (Bruker, 2018)'
_computing_data_collection       ?
_computing_data_reduction        'SAINT V8.38A (Bruker, 2018)'
_computing_molecular_graphics    'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_structure_refinement  'ShelXL (Sheldrick, 2015)'
_computing_structure_solution    'SHELXT 2014/5 (Sheldrick, 2014)'
_refine_diff_density_max         0.282
_refine_diff_density_min         -0.163
_refine_diff_density_rms         0.044
_refine_ls_abs_structure_details 
;
 Flack x determined using 1799 quotients [(I+)-(I-)]/[(I+)+(I-)]
 (Parsons, Flack and Wagner, Acta Cryst. B69 (2013) 249-259).
;
_refine_ls_abs_structure_Flack   0.064(11)
_refine_ls_extinction_coef       0.0021(3)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_extinction_method     'SHELXL-2016/6 (Sheldrick 2016)'
_refine_ls_goodness_of_fit_ref   1.046
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     272
_refine_ls_number_reflns         4411
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0296
_refine_ls_R_factor_gt           0.0287
_refine_ls_restrained_S_all      1.046
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0370P)²+0.5980P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0721
_refine_ls_wR_factor_ref         0.0728
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups
 At 1.5 times of:
  All C(H,H,H) groups, All O(H) groups
2.a Ternary CH refined with riding coordinates:
 C2(H2), C3(H3A), C5(H5), C6(H6), C12(H12), C18(H18), C19(H19), C20(H20),
 C21(H21)
2.b Secondary CH2 refined with riding coordinates:
 C1(H1A,H1B), C4(H4A,H4B), C17(H17A,H17B), C22(H22A,H22B)
2.c Idealised Me refined as rotating group:
 C8(H8A,H8B,H8C), C9(H9A,H9B,H9C), C10(H10A,H10B,H10C), C14(H14A,H14B,H14C),
 C15(H15A,H15B,H15C), C23(H23A,H23B,H23C), C24(H24A,H24B,H24C), C25(H25A,H25B,
 H25C)
2.d Idealised tetrahedral OH refined as rotating group:
 O3(H3)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
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_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Si1 Si 0.70163(6) 0.19551(5) 0.73163(2) 0.01987(14) Uani 1 1 d . . . . .
O1 O 0.75724(14) 0.27169(13) 0.67532(5) 0.0193(3) Uani 1 1 d . . . . .
O2 O 0.56864(13) 0.40325(13) 0.55816(5) 0.0160(3) Uani 1 1 d . . . . .
O3 O 0.54800(15) 0.61555(14) 0.63137(6) 0.0237(3) Uani 1 1 d . . . . .
H3 H 0.525959 0.570060 0.603862 0.036 Uiso 1 1 calc GR . . . .
C1 C 0.6763(2) 0.34576(19) 0.41156(8) 0.0204(4) Uani 1 1 d . . . . .
H1A H 0.630172 0.315986 0.377241 0.024 Uiso 1 1 calc R . . . .
H1B H 0.776543 0.352409 0.403978 0.024 Uiso 1 1 calc R . . . .
C2 C 0.6522(2) 0.24536(19) 0.45744(8) 0.0176(4) Uani 1 1 d . . . . .
H2 H 0.551544 0.244786 0.466879 0.021 Uiso 1 1 calc R . . . .
C3 C 0.73295(19) 0.28705(17) 0.50845(7) 0.0151(4) Uani 1 1 d . . . . .
H3A H 0.834087 0.282539 0.500177 0.018 Uiso 1 1 calc R . . . .
C4 C 0.7029(2) 0.21045(17) 0.56219(8) 0.0189(4) Uani 1 1 d . . . . .
H4A H 0.657173 0.126517 0.553810 0.023 Uiso 1 1 calc R . . . .
H4B H 0.789434 0.193010 0.582777 0.023 Uiso 1 1 calc R . . . .
C5 C 0.6064(2) 0.2999(2) 0.59583(8) 0.0179(4) Uani 1 1 d . . . . .
H5 H 0.522146 0.250792 0.607641 0.022 Uiso 1 1 calc R . . . .
C6 C 0.6751(2) 0.36518(18) 0.64644(8) 0.0174(4) Uani 1 1 d . . . . .
H6 H 0.600936 0.396989 0.671868 0.021 Uiso 1 1 calc R . . . .
C7 C 0.8242(3) 0.0548(2) 0.73964(8) 0.0311(5) Uani 1 1 d . . . . .
C8 C 0.9739(3) 0.1046(3) 0.74329(12) 0.0490(7) Uani 1 1 d . . . . .
H8A H 1.036783 0.030583 0.747891 0.074 Uiso 1 1 calc GR . . . .
H8B H 0.982905 0.163331 0.775056 0.074 Uiso 1 1 calc GR . . . .
H8C H 0.997325 0.151591 0.709264 0.074 Uiso 1 1 calc GR . . . .
C9 C 0.7897(4) -0.0190(3) 0.79321(11) 0.0549(9) Uani 1 1 d . . . . .
H9A H 0.697465 -0.057712 0.790099 0.082 Uiso 1 1 calc GR . . . .
H9B H 0.791519 0.041625 0.824528 0.082 Uiso 1 1 calc GR . . . .
H9C H 0.858105 -0.087948 0.799173 0.082 Uiso 1 1 calc GR . . . .
C10 C 0.8128(4) -0.0376(2) 0.69009(10) 0.0501(8) Uani 1 1 d . . . . .
H10A H 0.877419 -0.110203 0.694878 0.075 Uiso 1 1 calc GR . . . .
H10B H 0.835469 0.009692 0.656046 0.075 Uiso 1 1 calc GR . . . .
H10C H 0.718296 -0.071329 0.687649 0.075 Uiso 1 1 calc GR . . . .
C11 C 0.69648(19) 0.42527(17) 0.52749(7) 0.0135(4) Uani 1 1 d . . . . .
C12 C 0.66899(19) 0.53183(17) 0.48413(7) 0.0153(4) Uani 1 1 d . . . . .
H12 H 0.590232 0.584315 0.498972 0.018 Uiso 1 1 calc R . . . .
C13 C 0.7971(2) 0.62292(17) 0.48638(7) 0.0168(4) Uani 1 1 d . . . . .
C14 C 0.9208(2) 0.5678(2) 0.45415(8) 0.0200(4) Uani 1 1 d . . . . .
H14A H 1.001553 0.623858 0.459897 0.030 Uiso 1 1 calc GR . . . .
H14B H 0.898441 0.564730 0.414621 0.030 Uiso 1 1 calc GR . . . .
H14C H 0.941482 0.479742 0.467394 0.030 Uiso 1 1 calc GR . . . .
C15 C 0.7654(2) 0.7594(2) 0.46487(9) 0.0231(5) Uani 1 1 d . . . . .
H15A H 0.685681 0.794993 0.484770 0.035 Uiso 1 1 calc GR . . . .
H15B H 0.744521 0.755171 0.425230 0.035 Uiso 1 1 calc GR . . . .
H15C H 0.845828 0.815758 0.470809 0.035 Uiso 1 1 calc GR . . . .
C16 C 0.82542(19) 0.61860(17) 0.54852(8) 0.0164(4) Uani 1 1 d . . . . .
C17 C 0.9131(2) 0.7056(2) 0.58349(8) 0.0217(4) Uani 1 1 d . . . . .
H17A H 0.953494 0.783781 0.565794 0.026 Uiso 1 1 calc R . . . .
H17B H 0.972067 0.664352 0.612010 0.026 Uiso 1 1 calc R . . . .
C18 C 0.7581(2) 0.7033(2) 0.59238(8) 0.0191(4) Uani 1 1 d . . . . .
H18 H 0.703673 0.780420 0.579656 0.023 Uiso 1 1 calc R . . . .
C19 C 0.6951(2) 0.61772(18) 0.63674(8) 0.0192(4) Uani 1 1 d . . . . .
H19 H 0.720279 0.652874 0.673998 0.023 Uiso 1 1 calc R . . . .
C20 C 0.7644(2) 0.48218(18) 0.62872(7) 0.0161(4) Uani 1 1 d . . . . .
H20 H 0.850469 0.480819 0.651644 0.019 Uiso 1 1 calc R . . . .
C21 C 0.80850(19) 0.47870(17) 0.56723(7) 0.0138(4) Uani 1 1 d . . . . .
H21 H 0.897010 0.429591 0.562703 0.017 Uiso 1 1 calc R . . . .
C22 C 0.6204(2) 0.4804(2) 0.42747(8) 0.0199(4) Uani 1 1 d . . . . .
H22A H 0.518183 0.476640 0.427524 0.024 Uiso 1 1 calc R . . . .
H22B H 0.648501 0.543543 0.398627 0.024 Uiso 1 1 calc R . . . .
C23 C 0.6934(2) 0.10885(19) 0.43853(8) 0.0229(4) Uani 1 1 d . . . . .
H23A H 0.791834 0.107905 0.429002 0.034 Uiso 1 1 calc GR . . . .
H23B H 0.638770 0.084473 0.405990 0.034 Uiso 1 1 calc GR . . . .
H23C H 0.676077 0.046579 0.468474 0.034 Uiso 1 1 calc GR . . . .
C24 C 0.5201(3) 0.1398(3) 0.72224(11) 0.0389(6) Uani 1 1 d . . . . .
H24A H 0.460505 0.215290 0.715445 0.058 Uiso 1 1 calc GR . . . .
H24B H 0.489209 0.094583 0.755729 0.058 Uiso 1 1 calc GR . . . .
H24C H 0.515141 0.080323 0.690595 0.058 Uiso 1 1 calc GR . . . .
C25 C 0.7084(3) 0.3069(2) 0.79213(8) 0.0329(5) Uani 1 1 d . . . . .
H25A H 0.804994 0.325756 0.801292 0.049 Uiso 1 1 calc GR . . . .
H25B H 0.663347 0.265422 0.823895 0.049 Uiso 1 1 calc GR . . . .
H25C H 0.660431 0.388201 0.783122 0.049 Uiso 1 1 calc GR . . . .


_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 O1 1.6590(14) . ?
Si1 C7 1.880(2) . ?
Si1 C24 1.861(3) . ?
Si1 C25 1.857(2) . ?
O1 C6 1.428(2) . ?
O2 C5 1.445(2) . ?
O2 C11 1.460(2) . ?
O3 H3 0.8400 . ?
O3 C19 1.430(2) . ?
C1 H1A 0.9900 . ?
C1 H1B 0.9900 . ?
C1 C2 1.532(3) . ?
C1 C22 1.534(3) . ?
C2 H2 1.0000 . ?
C2 C3 1.521(3) . ?
C2 C23 1.528(3) . ?
C3 H3A 1.0000 . ?
C3 C4 1.546(3) . ?
C3 C11 1.533(2) . ?
C4 H4A 0.9900 . ?
C4 H4B 0.9900 . ?
C4 C5 1.542(3) . ?
C5 H5 1.0000 . ?
C5 C6 1.545(3) . ?
C6 H6 1.0000 . ?
C6 C20 1.541(3) . ?
C7 C8 1.539(4) . ?
C7 C9 1.537(3) . ?
C7 C10 1.531(3) . ?
C8 H8A 0.9800 . ?
C8 H8B 0.9800 . ?
C8 H8C 0.9800 . ?
C9 H9A 0.9800 . ?
C9 H9B 0.9800 . ?
C9 H9C 0.9800 . ?
C10 H10A 0.9800 . ?
C10 H10B 0.9800 . ?
C10 H10C 0.9800 . ?
C11 C12 1.538(2) . ?
C11 C21 1.549(2) . ?
C12 H12 1.0000 . ?
C12 C13 1.554(3) . ?
C12 C22 1.541(3) . ?
C13 C14 1.537(3) . ?
C13 C15 1.526(3) . ?
C13 C16 1.527(2) . ?
C14 H14A 0.9800 . ?
C14 H14B 0.9800 . ?
C14 H14C 0.9800 . ?
C15 H15A 0.9800 . ?
C15 H15B 0.9800 . ?
C15 H15C 0.9800 . ?
C16 C17 1.494(3) . ?
C16 C18 1.518(3) . ?
C16 C21 1.515(2) . ?
C17 H17A 0.9900 . ?
C17 H17B 0.9900 . ?
C17 C18 1.515(3) . ?
C18 H18 1.0000 . ?
C18 C19 1.514(3) . ?
C19 H19 1.0000 . ?
C19 C20 1.557(3) . ?
C20 H20 1.0000 . ?
C20 C21 1.546(2) . ?
C21 H21 1.0000 . ?
C22 H22A 0.9900 . ?
C22 H22B 0.9900 . ?
C23 H23A 0.9800 . ?
C23 H23B 0.9800 . ?
C23 H23C 0.9800 . ?
C24 H24A 0.9800 . ?
C24 H24B 0.9800 . ?
C24 H24C 0.9800 . ?
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
O1 Si1 C7 104.02(9) . . ?
O1 Si1 C24 110.55(10) . . ?
O1 Si1 C25 110.10(9) . . ?
C24 Si1 C7 111.84(12) . . ?
C25 Si1 C7 111.73(11) . . ?
C25 Si1 C24 108.57(13) . . ?
C6 O1 Si1 122.50(12) . . ?
C5 O2 C11 102.67(13) . . ?
C19 O3 H3 109.5 . . ?
H1A C1 H1B 107.9 . . ?
C2 C1 H1A 109.3 . . ?
C2 C1 H1B 109.3 . . ?
C2 C1 C22 111.83(16) . . ?
C22 C1 H1A 109.3 . . ?
C22 C1 H1B 109.2 . . ?
C1 C2 H2 108.5 . . ?
C3 C2 C1 108.58(16) . . ?
C3 C2 H2 108.5 . . ?
C3 C2 C23 111.49(16) . . ?
C23 C2 C1 111.20(16) . . ?
C23 C2 H2 108.5 . . ?
C2 C3 H3A 109.2 . . ?
C2 C3 C4 116.16(15) . . ?
C2 C3 C11 112.67(15) . . ?
C4 C3 H3A 109.2 . . ?
C11 C3 H3A 109.2 . . ?
C11 C3 C4 100.12(14) . . ?
C3 C4 H4A 110.8 . . ?
C3 C4 H4B 110.8 . . ?
H4A C4 H4B 108.9 . . ?
C5 C4 C3 104.69(15) . . ?
C5 C4 H4A 110.8 . . ?
C5 C4 H4B 110.8 . . ?
O2 C5 C4 104.99(14) . . ?
O2 C5 H5 110.1 . . ?
O2 C5 C6 106.77(15) . . ?
C4 C5 H5 110.1 . . ?
C4 C5 C6 114.49(16) . . ?
C6 C5 H5 110.1 . . ?
O1 C6 C5 109.55(15) . . ?
O1 C6 H6 108.6 . . ?
O1 C6 C20 110.36(16) . . ?
C5 C6 H6 108.6 . . ?
C20 C6 C5 111.11(15) . . ?
C20 C6 H6 108.6 . . ?
C8 C7 Si1 110.15(16) . . ?
C9 C7 Si1 109.19(18) . . ?
C9 C7 C8 108.7(2) . . ?
C10 C7 Si1 110.51(17) . . ?
C10 C7 C8 108.6(2) . . ?
C10 C7 C9 109.7(2) . . ?
C7 C8 H8A 109.5 . . ?
C7 C8 H8B 109.5 . . ?
C7 C8 H8C 109.5 . . ?
H8A C8 H8B 109.5 . . ?
H8A C8 H8C 109.5 . . ?
H8B C8 H8C 109.5 . . ?
C7 C9 H9A 109.5 . . ?
C7 C9 H9B 109.5 . . ?
C7 C9 H9C 109.5 . . ?
H9A C9 H9B 109.5 . . ?
H9A C9 H9C 109.5 . . ?
H9B C9 H9C 109.5 . . ?
C7 C10 H10A 109.5 . . ?
C7 C10 H10B 109.5 . . ?
C7 C10 H10C 109.5 . . ?
H10A C10 H10B 109.5 . . ?
H10A C10 H10C 109.5 . . ?
H10B C10 H10C 109.5 . . ?
O2 C11 C3 101.77(14) . . ?
O2 C11 C12 108.03(14) . . ?
O2 C11 C21 109.47(13) . . ?
C3 C11 C12 119.60(15) . . ?
C3 C11 C21 110.67(15) . . ?
C12 C11 C21 106.94(14) . . ?
C11 C12 H12 105.7 . . ?
C11 C12 C13 105.45(14) . . ?
C11 C12 C22 114.46(15) . . ?
C13 C12 H12 105.7 . . ?
C22 C12 H12 105.7 . . ?
C22 C12 C13 118.74(15) . . ?
C14 C13 C12 112.48(15) . . ?
C15 C13 C12 112.41(16) . . ?
C15 C13 C14 108.79(16) . . ?
C15 C13 C16 113.42(16) . . ?
C16 C13 C12 99.22(14) . . ?
C16 C13 C14 110.33(16) . . ?
C13 C14 H14A 109.5 . . ?
C13 C14 H14B 109.5 . . ?
C13 C14 H14C 109.5 . . ?
H14A C14 H14B 109.5 . . ?
H14A C14 H14C 109.5 . . ?
H14B C14 H14C 109.5 . . ?
C13 C15 H15A 109.5 . . ?
C13 C15 H15B 109.5 . . ?
C13 C15 H15C 109.5 . . ?
H15A C15 H15B 109.5 . . ?
H15A C15 H15C 109.5 . . ?
H15B C15 H15C 109.5 . . ?
C17 C16 C13 129.84(17) . . ?
C17 C16 C18 60.41(13) . . ?
C17 C16 C21 117.37(16) . . ?
C18 C16 C13 126.36(17) . . ?
C21 C16 C13 107.55(14) . . ?
C21 C16 C18 106.77(15) . . ?
C16 C17 H17A 117.7 . . ?
C16 C17 H17B 117.7 . . ?
C16 C17 C18 60.57(13) . . ?
H17A C17 H17B 114.8 . . ?
C18 C17 H17A 117.7 . . ?
C18 C17 H17B 117.7 . . ?
C16 C18 H18 117.7 . . ?
C17 C18 C16 59.02(13) . . ?
C17 C18 H18 117.7 . . ?
C19 C18 C16 109.55(16) . . ?
C19 C18 C17 120.55(18) . . ?
C19 C18 H18 117.7 . . ?
O3 C19 C18 110.23(16) . . ?
O3 C19 H19 109.3 . . ?
O3 C19 C20 113.81(15) . . ?
C18 C19 H19 109.3 . . ?
C18 C19 C20 104.90(15) . . ?
C20 C19 H19 109.3 . . ?
C6 C20 C19 114.89(15) . . ?
C6 C20 H20 107.6 . . ?
C6 C20 C21 113.80(15) . . ?
C19 C20 H20 107.6 . . ?
C21 C20 C19 105.01(14) . . ?
C21 C20 H20 107.6 . . ?
C11 C21 H21 110.7 . . ?
C16 C21 C11 103.10(14) . . ?
C16 C21 C20 107.14(14) . . ?
C16 C21 H21 110.7 . . ?
C20 C21 C11 114.27(15) . . ?
C20 C21 H21 110.7 . . ?
C1 C22 C12 115.10(16) . . ?
C1 C22 H22A 108.5 . . ?
C1 C22 H22B 108.5 . . ?
C12 C22 H22A 108.5 . . ?
C12 C22 H22B 108.5 . . ?
H22A C22 H22B 107.5 . . ?
C2 C23 H23A 109.5 . . ?
C2 C23 H23B 109.5 . . ?
C2 C23 H23C 109.5 . . ?
H23A C23 H23B 109.5 . . ?
H23A C23 H23C 109.5 . . ?
H23B C23 H23C 109.5 . . ?
Si1 C24 H24A 109.5 . . ?
Si1 C24 H24B 109.5 . . ?
Si1 C24 H24C 109.5 . . ?
H24A C24 H24B 109.5 . . ?
H24A C24 H24C 109.5 . . ?
H24B C24 H24C 109.5 . . ?
Si1 C25 H25A 109.5 . . ?
Si1 C25 H25B 109.5 . . ?
Si1 C25 H25C 109.5 . . ?
H25A C25 H25B 109.5 . . ?
H25A C25 H25C 109.5 . . ?
H25B C25 H25C 109.5 . . ?

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
Si1 O1 C6 C5 -99.03(16) . . . . ?
Si1 O1 C6 C20 138.32(13) . . . . ?
O1 Si1 C7 C8 56.82(18) . . . . ?
O1 Si1 C7 C9 176.08(19) . . . . ?
O1 Si1 C7 C10 -63.1(2) . . . . ?
O1 C6 C20 C19 -138.12(16) . . . . ?
O1 C6 C20 C21 100.77(18) . . . . ?
O2 C5 C6 O1 -159.56(14) . . . . ?
O2 C5 C6 C20 -37.4(2) . . . . ?
O2 C11 C12 C13 136.89(14) . . . . ?
O2 C11 C12 C22 -90.74(18) . . . . ?
O2 C11 C21 C16 -110.03(15) . . . . ?
O2 C11 C21 C20 5.9(2) . . . . ?
O3 C19 C20 C6 -30.4(2) . . . . ?
O3 C19 C20 C21 95.36(17) . . . . ?
C1 C2 C3 C4 170.30(16) . . . . ?
C1 C2 C3 C11 55.6(2) . . . . ?
C2 C1 C22 C12 51.5(2) . . . . ?
C2 C3 C4 C5 -101.39(18) . . . . ?
C2 C3 C11 O2 80.67(17) . . . . ?
C2 C3 C11 C12 -38.1(2) . . . . ?
C2 C3 C11 C21 -163.07(15) . . . . ?
C3 C4 C5 O2 9.72(18) . . . . ?
C3 C4 C5 C6 -107.04(17) . . . . ?
C3 C11 C12 C13 -107.54(18) . . . . ?
C3 C11 C12 C22 24.8(2) . . . . ?
C3 C11 C21 C16 138.59(15) . . . . ?
C3 C11 C21 C20 -105.51(17) . . . . ?
C4 C3 C11 O2 -43.38(16) . . . . ?
C4 C3 C11 C12 -162.19(16) . . . . ?
C4 C3 C11 C21 72.88(17) . . . . ?
C4 C5 C6 O1 -43.8(2) . . . . ?
C4 C5 C6 C20 78.4(2) . . . . ?
C5 O2 C11 C3 51.55(16) . . . . ?
C5 O2 C11 C12 178.31(14) . . . . ?
C5 O2 C11 C21 -65.58(16) . . . . ?
C5 C6 C20 C19 100.15(19) . . . . ?
C5 C6 C20 C21 -21.0(2) . . . . ?
C6 C20 C21 C11 37.4(2) . . . . ?
C6 C20 C21 C16 150.93(16) . . . . ?
C7 Si1 O1 C6 164.35(15) . . . . ?
C11 O2 C5 C4 -37.70(17) . . . . ?
C11 O2 C5 C6 84.24(16) . . . . ?
C11 C3 C4 C5 20.20(18) . . . . ?
C11 C12 C13 C14 80.07(18) . . . . ?
C11 C12 C13 C15 -156.73(15) . . . . ?
C11 C12 C13 C16 -36.55(17) . . . . ?
C11 C12 C22 C1 -30.9(2) . . . . ?
C12 C11 C21 C16 6.77(18) . . . . ?
C12 C11 C21 C20 122.66(16) . . . . ?
C12 C13 C16 C17 -164.47(19) . . . . ?
C12 C13 C16 C18 -85.1(2) . . . . ?
C12 C13 C16 C21 42.40(18) . . . . ?
C13 C12 C22 C1 94.8(2) . . . . ?
C13 C16 C17 C18 114.5(2) . . . . ?
C13 C16 C18 C17 -119.8(2) . . . . ?
C13 C16 C18 C19 125.6(2) . . . . ?
C13 C16 C21 C11 -31.29(19) . . . . ?
C13 C16 C21 C20 -152.18(15) . . . . ?
C14 C13 C16 C17 77.3(2) . . . . ?
C14 C13 C16 C18 156.65(18) . . . . ?
C14 C13 C16 C21 -75.85(19) . . . . ?
C15 C13 C16 C17 -45.1(3) . . . . ?
C15 C13 C16 C18 34.3(3) . . . . ?
C15 C13 C16 C21 161.82(17) . . . . ?
C16 C17 C18 C19 95.68(19) . . . . ?
C16 C18 C19 O3 -105.70(18) . . . . ?
C16 C18 C19 C20 17.2(2) . . . . ?
C17 C16 C18 C19 -114.57(19) . . . . ?
C17 C16 C21 C11 171.71(16) . . . . ?
C17 C16 C21 C20 50.8(2) . . . . ?
C17 C18 C19 O3 -170.58(17) . . . . ?
C17 C18 C19 C20 -47.7(2) . . . . ?
C18 C16 C21 C11 106.84(16) . . . . ?
C18 C16 C21 C20 -14.0(2) . . . . ?
C18 C19 C20 C6 -151.02(16) . . . . ?
C18 C19 C20 C21 -25.21(19) . . . . ?
C19 C20 C21 C11 -89.08(17) . . . . ?
C19 C20 C21 C16 24.45(19) . . . . ?
C21 C11 C12 C13 19.14(18) . . . . ?
C21 C11 C12 C22 151.51(16) . . . . ?
C21 C16 C17 C18 -94.56(18) . . . . ?
C21 C16 C18 C17 112.40(17) . . . . ?
C21 C16 C18 C19 -2.2(2) . . . . ?
C22 C1 C2 C3 -63.4(2) . . . . ?
C22 C1 C2 C23 173.60(16) . . . . ?
C22 C12 C13 C14 -49.8(2) . . . . ?
C22 C12 C13 C15 73.4(2) . . . . ?
C22 C12 C13 C16 -166.47(16) . . . . ?
C23 C2 C3 C4 -66.9(2) . . . . ?
C23 C2 C3 C11 178.47(16) . . . . ?
C24 Si1 O1 C6 44.15(17) . . . . ?
C24 Si1 C7 C8 176.15(17) . . . . ?
C24 Si1 C7 C9 -64.6(2) . . . . ?
C24 Si1 C7 C10 56.2(2) . . . . ?
C25 Si1 O1 C6 -75.80(17) . . . . ?
C25 Si1 C7 C8 -61.9(2) . . . . ?
C25 Si1 C7 C9 57.3(2) . . . . ?
C25 Si1 C7 C10 178.12(19) . . . . ?


_olex2_submission_special_instructions 'No special instructions were received'
####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_cxy5025_0m
_database_code_depnum_ccdc_archive 'CCDC 2422357'
loop_
_audit_author_name
_audit_author_address
'Louxi CHEN'
;Southern university of Science and Technology
China
;
_audit_update_record             
;
2025-02-08 deposited with the CCDC.	2025-06-10 downloaded from the CCDC.
;
_audit_creation_date             2022-10-14
_audit_creation_method           
;
Olex2 1.5
(compiled 2022.04.07 svn.rca3783a0 for OlexSys, GUI svn.r6498)
;
_shelx_SHELXL_version_number     2019/2
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C26 H44 O3 Si'
_chemical_formula_sum            'C26 H44 O3 Si'
_chemical_formula_weight         432.70
_chemical_absolute_configuration ad
_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 0.0137 0.0067 '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 0.0389 0.0241 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Si Si 0.2153 0.2529 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_shelx_space_group_comment       
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_space_group_crystal_system      triclinic
_space_group_IT_number           1
_space_group_name_H-M_alt        'P 1'
_space_group_name_Hall           'P 1'
loop_
_space_group_symop_operation_xyz
'x, y, z'

_cell_length_a                   11.0269(10)
_cell_length_b                   11.0409(10)
_cell_length_c                   12.3804(11)
_cell_angle_alpha                75.509(3)
_cell_angle_beta                 65.961(3)
_cell_angle_gamma                67.425(3)
_cell_volume                     1263.2(2)
_cell_formula_units_Z            2
_cell_measurement_reflns_used    9568
_cell_measurement_temperature    100.0(2)
_cell_measurement_theta_max      56.99
_cell_measurement_theta_min      4.03
_shelx_estimated_absorpt_T_max   ?
_shelx_estimated_absorpt_T_min   ?
_exptl_absorpt_coefficient_mu    0.640
_exptl_absorpt_correction_T_max  0.7512
_exptl_absorpt_correction_T_min  0.6177
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
SADABS-2016/2 (Bruker,2016/2) was used for absorption correction.
wR2(int) was 0.1003 before and 0.0633 after correction.
The Ratio of minimum to maximum transmission is 0.8223.
The λ/2 correction factor is Not present.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            colourless
_exptl_crystal_colour_primary    colourless
_exptl_crystal_density_diffrn    1.138
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             476
_exptl_crystal_size_max          0.26
_exptl_crystal_size_mid          0.18
_exptl_crystal_size_min          0.12
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0500
_diffrn_reflns_av_unetI/netI     0.0336
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 0.998
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_limit_l_min       -15
_diffrn_reflns_number            50323
_diffrn_reflns_point_group_measured_fraction_full 0.986
_diffrn_reflns_point_group_measured_fraction_max 0.979
_diffrn_reflns_theta_full        53.594
_diffrn_reflns_theta_max         57.082
_diffrn_reflns_theta_min         3.422
_diffrn_ambient_temperature      100.0(2)
_diffrn_detector                 'Bruker PHOTON III area detector'
_diffrn_detector_area_resol_mean 7.9
_diffrn_detector_type            'CMOS area detector'
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device       'three-circle diffractometer'
_diffrn_measurement_device_type  'Bruker D8 VENTURE'
_diffrn_measurement_method       'ω and φ scans'
_diffrn_radiation_monochromator  'mirror optics'
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           GaK\a
_diffrn_radiation_wavelength     1.34139
_diffrn_source                   'microfocus Metaljet'
_diffrn_source_current           3.0
_diffrn_source_power             0.20958
_diffrn_source_type              'Incoatec Metaljet'
_diffrn_source_voltage           69.86
_diffrn_standards_number         0
_reflns_Friedel_coverage         0.962
_reflns_Friedel_fraction_full    0.973
_reflns_Friedel_fraction_max     0.960
_reflns_number_gt                9971
_reflns_number_total             10149
_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       'SAINT V8.40B (?, 2016)'
_computing_data_collection       'Apex3 (Bruker 2018)'
_computing_data_reduction        'SAINT V8.40B (?, 2016)'
_computing_molecular_graphics    'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL 2019/2 (Sheldrick, 2015)'
_computing_structure_solution    'ShelXT 2014'
_refine_diff_density_max         0.402
_refine_diff_density_min         -0.283
_refine_diff_density_rms         0.045
_refine_ls_abs_structure_details 
;
 Flack x determined using 4769 quotients [(I+)-(I-)]/[(I+)+(I-)]
 (Parsons, Flack and Wagner, Acta Cryst. B69 (2013) 249-259).
;
_refine_ls_abs_structure_Flack   0.011(18)
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.024
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     559
_refine_ls_number_reflns         10149
_refine_ls_number_restraints     3
_refine_ls_R_factor_all          0.0399
_refine_ls_R_factor_gt           0.0390
_refine_ls_restrained_S_all      1.024
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0711P)²+0.2811P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1014
_refine_ls_wR_factor_ref         0.1021
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2.a Ternary CH refined with riding coordinates:
 C2(H2), C3(H3), C5(H5), C6(H6), C13(H13), C19(H19), C25(H25), C28(H28),
 C30(H30), C31(H31), C37(H37), C38(H38), C40(H40), C49(H49)
2.b Secondary CH2 refined with riding coordinates:
 C4(H4A,H4B), C20(H20A,H20B), C21(H21A,H21B), C22(H22A,H22B), C24(H24A,H24B),
 C27(H27A,H27B), C36(H36A,H36B), C39(H39A,H39B), C46(H46A,H46B), C48(H48A,H48B)
2.c Idealised Me refined as rotating group:
 C1(H1A,H1B,H1C), C8(H8A,H8B,H8C), C9(H9A,H9B,H9C), C10(H10A,H10B,H10C),
 C11(H11A,H11B,H11C), C15(H15A,H15B,H15C), C17(H17A,H17B,H17C), C18(H18A,H18B,
 H18C), C26(H26A,H26B,H26C), C33(H33A,H33B,H33C), C34(H34A,H34B,H34C), C35(H35A,
 H35B,H35C), C42(H42A,H42B,H42C), C44(H44A,H44B,H44C), C45(H45A,H45B,H45C),
 C50(H50A,H50B,H50C), C51(H51A,H51B,H51C), C52(H52A,H52B,H52C)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     dual
_atom_sites_solution_secondary   ?
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_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Si1 Si 0.85656(7) 0.30682(6) 0.09440(5) 0.02018(15) Uani 1 1 d . . . . .
Si2 Si 0.23912(6) 0.65753(6) 0.84291(5) 0.01915(14) Uani 1 1 d . . . . .
O1 O 0.78460(19) 0.20558(17) 0.20188(15) 0.0217(4) Uani 1 1 d . . . . .
O2 O 0.5121(3) 0.4919(2) 0.5528(2) 0.0388(5) Uani 1 1 d . . . . .
O3 O 0.89522(16) -0.02226(16) 0.43973(14) 0.0177(3) Uani 1 1 d . . . . .
O4 O 0.39837(17) 0.96714(17) 0.50473(15) 0.0189(3) Uani 1 1 d . . . . .
O5 O 0.19338(18) 0.77836(18) 0.74360(15) 0.0223(4) Uani 1 1 d . . . . .
O6 O 0.2959(2) 0.5642(2) 0.37301(19) 0.0329(4) Uani 1 1 d . . . . .
C1 C 0.8106(3) -0.3693(3) 0.4152(3) 0.0272(5) Uani 1 1 d . . . . .
H1A H 0.872421 -0.459224 0.427018 0.041 Uiso 1 1 calc R U . . .
H1B H 0.833629 -0.339806 0.329846 0.041 Uiso 1 1 calc R U . . .
H1C H 0.712944 -0.368183 0.450234 0.041 Uiso 1 1 calc R U . . .
C2 C 0.8308(3) -0.2765(2) 0.4756(2) 0.0192(5) Uani 1 1 d . . . . .
H2 H 0.932361 -0.284006 0.441430 0.023 Uiso 1 1 calc R U . . .
C3 C 0.7473(2) -0.1316(2) 0.4486(2) 0.0164(4) Uani 1 1 d . . . . .
H3 H 0.646757 -0.121524 0.468357 0.020 Uiso 1 1 calc R U . . .
C4 C 0.8123(3) -0.0781(2) 0.3169(2) 0.0188(5) Uani 1 1 d . . . . .
H4A H 0.882216 -0.150865 0.269187 0.023 Uiso 1 1 calc R U . . .
H4B H 0.738943 -0.029515 0.280929 0.023 Uiso 1 1 calc R U . . .
C5 C 0.8823(2) 0.0151(2) 0.3241(2) 0.0187(5) Uani 1 1 d . . . . .
H5 H 0.977289 0.000513 0.261016 0.022 Uiso 1 1 calc R U . . .
C6 C 0.7967(3) 0.1619(2) 0.3170(2) 0.0174(5) Uani 1 1 d . . . . .
H6 H 0.844092 0.214191 0.331646 0.021 Uiso 1 1 calc R U . . .
C7 C 0.7256(3) 0.3961(2) 0.0167(2) 0.0226(5) Uani 1 1 d . . . . .
C8 C 0.5908(3) 0.4817(3) 0.0999(3) 0.0366(7) Uani 1 1 d . . . . .
H8A H 0.523681 0.527188 0.058326 0.055 Uiso 1 1 calc R U . . .
H8B H 0.611566 0.547041 0.124591 0.055 Uiso 1 1 calc R U . . .
H8C H 0.550614 0.425946 0.170187 0.055 Uiso 1 1 calc R U . . .
C9 C 0.6932(4) 0.2950(3) -0.0225(3) 0.0427(8) Uani 1 1 d . . . . .
H9A H 0.654816 0.237812 0.047427 0.064 Uiso 1 1 calc R U . . .
H9B H 0.779494 0.241407 -0.077436 0.064 Uiso 1 1 calc R U . . .
H9C H 0.624626 0.340885 -0.062494 0.064 Uiso 1 1 calc R U . . .
C10 C 0.7867(4) 0.4846(3) -0.0940(3) 0.0408(8) Uani 1 1 d . . . . .
H10A H 0.717227 0.532267 -0.132842 0.061 Uiso 1 1 calc R U . . .
H10B H 0.871178 0.429798 -0.149544 0.061 Uiso 1 1 calc R U . . .
H10C H 0.810741 0.548022 -0.069898 0.061 Uiso 1 1 calc R U . . .
C11 C 0.8912(4) 0.4222(3) 0.1568(3) 0.0332(6) Uani 1 1 d . . . . .
H11A H 0.805117 0.466046 0.218517 0.050 Uiso 1 1 calc R U . . .
H11B H 0.922403 0.488588 0.093188 0.050 Uiso 1 1 calc R U . . .
H11C H 0.964275 0.372588 0.191591 0.050 Uiso 1 1 calc R U . . .
C12 C 0.7603(2) -0.0397(2) 0.51543(19) 0.0155(4) Uani 1 1 d . . . . .
C13 C 0.6476(2) 0.0951(2) 0.52697(19) 0.0150(4) Uani 1 1 d . . . . .
H13 H 0.555666 0.077965 0.561687 0.018 Uiso 1 1 calc R U . . .
C14 C 0.6576(2) 0.1518(2) 0.6240(2) 0.0177(5) Uani 1 1 d . . . . .
C15 C 0.7875(3) 0.1960(3) 0.5848(2) 0.0222(5) Uani 1 1 d . . . . .
H15A H 0.791999 0.258269 0.512315 0.033 Uiso 1 1 calc R U . . .
H15B H 0.872207 0.118869 0.568851 0.033 Uiso 1 1 calc R U . . .
H15C H 0.780777 0.239105 0.648160 0.033 Uiso 1 1 calc R U . . .
C16 C 0.6646(2) 0.0289(2) 0.7214(2) 0.0182(5) Uani 1 1 d . . . . .
C17 C 0.7331(3) 0.0286(3) 0.8072(2) 0.0250(5) Uani 1 1 d . . . . .
H17A H 0.679241 0.106849 0.850172 0.038 Uiso 1 1 calc R U . . .
H17B H 0.829200 0.029994 0.762034 0.038 Uiso 1 1 calc R U . . .
H17C H 0.734758 -0.051086 0.864159 0.038 Uiso 1 1 calc R U . . .
C18 C 0.5155(3) 0.0236(3) 0.7989(2) 0.0248(5) Uani 1 1 d . . . . .
H18A H 0.521720 -0.058899 0.852399 0.037 Uiso 1 1 calc R U . . .
H18B H 0.465681 0.027718 0.747515 0.037 Uiso 1 1 calc R U . . .
H18C H 0.464571 0.098702 0.846038 0.037 Uiso 1 1 calc R U . . .
C19 C 0.7561(3) -0.0899(2) 0.6444(2) 0.0191(5) Uani 1 1 d . . . . .
H19 H 0.853663 -0.119429 0.645018 0.023 Uiso 1 1 calc R U . . .
C20 C 0.7022(3) -0.2095(3) 0.6878(2) 0.0251(5) Uani 1 1 d . . . . .
H20A H 0.698915 -0.241859 0.770807 0.030 Uiso 1 1 calc R U . . .
H20B H 0.605759 -0.181545 0.687284 0.030 Uiso 1 1 calc R U . . .
C21 C 0.7944(3) -0.3202(3) 0.6107(2) 0.0261(5) Uani 1 1 d . . . . .
H21A H 0.746558 -0.387128 0.632757 0.031 Uiso 1 1 calc R U . . .
H21B H 0.882581 -0.362832 0.627918 0.031 Uiso 1 1 calc R U . . .
C22 C 0.5292(3) 0.2756(2) 0.6559(2) 0.0229(5) Uani 1 1 d . . . . .
H22A H 0.442312 0.252459 0.683090 0.028 Uiso 1 1 calc R U . . .
H22B H 0.528290 0.312809 0.721338 0.028 Uiso 1 1 calc R U . . .
C23 C 0.5360(3) 0.3766(3) 0.5469(2) 0.0246(5) Uani 1 1 d . . . . .
C24 C 0.5669(3) 0.3315(2) 0.4293(2) 0.0226(5) Uani 1 1 d . . . . .
H24A H 0.620118 0.385118 0.364908 0.027 Uiso 1 1 calc R U . . .
H24B H 0.476223 0.353281 0.418790 0.027 Uiso 1 1 calc R U . . .
C25 C 0.6486(2) 0.1843(2) 0.4098(2) 0.0170(4) Uani 1 1 d . . . . .
H25 H 0.596065 0.156373 0.376282 0.020 Uiso 1 1 calc R U . . .
C26 C 1.0250(3) 0.2117(3) -0.0118(3) 0.0330(6) Uani 1 1 d . . . . .
H26A H 1.091364 0.162387 0.029971 0.049 Uiso 1 1 calc R U . . .
H26B H 1.064325 0.272821 -0.076898 0.049 Uiso 1 1 calc R U . . .
H26C H 1.007865 0.149931 -0.044259 0.049 Uiso 1 1 calc R U . . .
C27 C 0.3467(3) 1.2289(3) 0.2814(3) 0.0306(6) Uani 1 1 d . . . . .
H27A H 0.423639 1.254497 0.281172 0.037 Uiso 1 1 calc R U . . .
H27B H 0.344486 1.250835 0.199555 0.037 Uiso 1 1 calc R U . . .
C28 C 0.3805(3) 1.0782(3) 0.3144(2) 0.0230(5) Uani 1 1 d . . . . .
H28 H 0.480488 1.045248 0.309544 0.028 Uiso 1 1 calc R U . . .
C29 C 0.2979(2) 1.0325(2) 0.4437(2) 0.0180(5) Uani 1 1 d . . . . .
C30 C 0.3134(2) 0.9350(2) 0.6238(2) 0.0200(5) Uani 1 1 d . . . . .
H30 H 0.366454 0.914600 0.678680 0.024 Uiso 1 1 calc R U . . .
C31 C 0.2776(2) 0.8134(2) 0.6251(2) 0.0188(5) Uani 1 1 d . . . . .
H31 H 0.365955 0.738230 0.598613 0.023 Uiso 1 1 calc R U . . .
C32 C 0.1319(3) 0.7277(3) 0.9902(2) 0.0269(5) Uani 1 1 d . . . . .
C33 C -0.0237(3) 0.7810(4) 1.0025(3) 0.0397(7) Uani 1 1 d . . . . .
H33A H -0.053823 0.708509 1.001951 0.060 Uiso 1 1 calc R U . . .
H33B H -0.036188 0.848377 0.935813 0.060 Uiso 1 1 calc R U . . .
H33C H -0.080059 0.820113 1.077556 0.060 Uiso 1 1 calc R U . . .
C34 C 0.1521(3) 0.6220(3) 1.0945(2) 0.0331(6) Uani 1 1 d . . . . .
H34A H 0.097775 0.661459 1.169559 0.050 Uiso 1 1 calc R U . . .
H34B H 0.251562 0.586578 1.085322 0.050 Uiso 1 1 calc R U . . .
H34C H 0.119762 0.550455 1.095269 0.050 Uiso 1 1 calc R U . . .
C35 C 0.4298(3) 0.6069(3) 0.8154(3) 0.0276(5) Uani 1 1 d . . . . .
H35A H 0.483223 0.579185 0.735346 0.041 Uiso 1 1 calc R U . . .
H35B H 0.453952 0.533299 0.874404 0.041 Uiso 1 1 calc R U . . .
H35C H 0.452776 0.681583 0.821904 0.041 Uiso 1 1 calc R U . . .
C36 C 0.1892(3) 1.0627(2) 0.6522(2) 0.0241(5) Uani 1 1 d . . . . .
H36A H 0.206084 1.118404 0.692614 0.029 Uiso 1 1 calc R U . . .
H36B H 0.101496 1.042894 0.703656 0.029 Uiso 1 1 calc R U . . .
C37 C 0.1811(2) 1.1324(2) 0.5286(2) 0.0208(5) Uani 1 1 d . . . . .
H37 H 0.088937 1.139918 0.526164 0.025 Uiso 1 1 calc R U . . .
C38 C 0.1986(3) 1.2687(3) 0.4941(3) 0.0273(6) Uani 1 1 d . . . . .
H38 H 0.288112 1.262236 0.501296 0.033 Uiso 1 1 calc R U . . .
C39 C 0.2099(3) 1.3106(3) 0.3633(3) 0.0323(6) Uani 1 1 d . . . . .
H39A H 0.130909 1.299909 0.351902 0.039 Uiso 1 1 calc R U . . .
H39B H 0.203229 1.405002 0.342765 0.039 Uiso 1 1 calc R U . . .
C40 C 0.2435(2) 0.9319(2) 0.4294(2) 0.0178(4) Uani 1 1 d . . . . .
H40 H 0.158022 0.984794 0.408300 0.021 Uiso 1 1 calc R U . . .
C41 C 0.3529(3) 0.8684(2) 0.3173(2) 0.0204(5) Uani 1 1 d . . . . .
C42 C 0.4913(3) 0.7732(3) 0.3325(2) 0.0229(5) Uani 1 1 d . . . . .
H42A H 0.538404 0.822658 0.348421 0.034 Uiso 1 1 calc R U . . .
H42B H 0.552067 0.731093 0.259516 0.034 Uiso 1 1 calc R U . . .
H42C H 0.471550 0.705450 0.399354 0.034 Uiso 1 1 calc R U . . .
C43 C 0.3751(3) 0.9957(3) 0.2308(2) 0.0234(5) Uani 1 1 d . . . . .
C44 C 0.5104(3) 0.9683(3) 0.1230(2) 0.0339(6) Uani 1 1 d . . . . .
H44A H 0.508225 0.911571 0.074766 0.051 Uiso 1 1 calc R U . . .
H44B H 0.590637 0.923944 0.150014 0.051 Uiso 1 1 calc R U . . .
H44C H 0.519237 1.051849 0.075057 0.051 Uiso 1 1 calc R U . . .
C45 C 0.2540(3) 1.0681(3) 0.1826(3) 0.0320(6) Uani 1 1 d . . . . .
H45A H 0.265881 1.151327 0.135983 0.048 Uiso 1 1 calc R U . . .
H45B H 0.164722 1.086405 0.249256 0.048 Uiso 1 1 calc R U . . .
H45C H 0.254392 1.012544 0.131772 0.048 Uiso 1 1 calc R U . . .
C46 C 0.2883(3) 0.7856(3) 0.2874(2) 0.0236(5) Uani 1 1 d . . . . .
H46A H 0.199082 0.842513 0.275524 0.028 Uiso 1 1 calc R U . . .
H46B H 0.353020 0.745434 0.212978 0.028 Uiso 1 1 calc R U . . .
C47 C 0.2617(3) 0.6780(3) 0.3899(2) 0.0226(5) Uani 1 1 d . . . . .
C48 C 0.1841(3) 0.7180(3) 0.5155(2) 0.0239(5) Uani 1 1 d . . . . .
H48A H 0.217837 0.642409 0.570386 0.029 Uiso 1 1 calc R U . . .
H48B H 0.083691 0.731278 0.535353 0.029 Uiso 1 1 calc R U . . .
C49 C 0.1943(2) 0.8423(2) 0.5436(2) 0.0185(5) Uani 1 1 d . . . . .
H49 H 0.096196 0.893988 0.588585 0.022 Uiso 1 1 calc R U . . .
C50 C 0.0775(4) 1.3683(3) 0.5760(3) 0.0414(7) Uani 1 1 d . . . . .
H50A H 0.090548 1.455263 0.550667 0.062 Uiso 1 1 calc R U . . .
H50B H 0.075652 1.339546 0.658101 0.062 Uiso 1 1 calc R U . . .
H50C H -0.011260 1.373652 0.571698 0.062 Uiso 1 1 calc R U . . .
C51 C 0.1931(3) 0.5136(3) 0.8373(3) 0.0307(6) Uani 1 1 d . . . . .
H51A H 0.093382 0.541565 0.848406 0.046 Uiso 1 1 calc R U . . .
H51B H 0.212520 0.443964 0.900610 0.046 Uiso 1 1 calc R U . . .
H51C H 0.249249 0.479712 0.759826 0.046 Uiso 1 1 calc R U . . .
C52 C 0.1782(4) 0.8406(3) 0.9936(3) 0.0423(8) Uani 1 1 d . . . . .
H52A H 0.173764 0.905258 0.923680 0.063 Uiso 1 1 calc R U . . .
H52B H 0.274587 0.805249 0.993339 0.063 Uiso 1 1 calc R U . . .
H52C H 0.115992 0.883433 1.066048 0.063 Uiso 1 1 calc R U . . .


_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 O1 1.6511(18) . ?
Si1 C7 1.884(3) . ?
Si1 C11 1.863(3) . ?
Si1 C26 1.867(3) . ?
Si2 O5 1.6473(18) . ?
Si2 C32 1.890(3) . ?
Si2 C35 1.860(3) . ?
Si2 C51 1.869(3) . ?
O1 C6 1.430(3) . ?
O2 C23 1.211(3) . ?
O3 C5 1.436(3) . ?
O3 C12 1.457(3) . ?
O4 C29 1.455(3) . ?
O4 C30 1.430(3) . ?
O5 C31 1.431(3) . ?
O6 C47 1.212(3) . ?
C1 H1A 0.9800 . ?
C1 H1B 0.9800 . ?
C1 H1C 0.9800 . ?
C1 C2 1.534(3) . ?
C2 H2 1.0000 . ?
C2 C3 1.540(3) . ?
C2 C21 1.546(3) . ?
C3 H3 1.0000 . ?
C3 C4 1.554(3) . ?
C3 C12 1.537(3) . ?
C4 H4A 0.9900 . ?
C4 H4B 0.9900 . ?
C4 C5 1.542(3) . ?
C5 H5 1.0000 . ?
C5 C6 1.532(3) . ?
C6 H6 1.0000 . ?
C6 C25 1.533(3) . ?
C7 C8 1.525(4) . ?
C7 C9 1.524(4) . ?
C7 C10 1.539(4) . ?
C8 H8A 0.9800 . ?
C8 H8B 0.9800 . ?
C8 H8C 0.9800 . ?
C9 H9A 0.9800 . ?
C9 H9B 0.9800 . ?
C9 H9C 0.9800 . ?
C10 H10A 0.9800 . ?
C10 H10B 0.9800 . ?
C10 H10C 0.9800 . ?
C11 H11A 0.9800 . ?
C11 H11B 0.9800 . ?
C11 H11C 0.9800 . ?
C12 C13 1.524(3) . ?
C12 C19 1.541(3) . ?
C13 H13 1.0000 . ?
C13 C14 1.544(3) . ?
C13 C25 1.534(3) . ?
C14 C15 1.542(3) . ?
C14 C16 1.573(3) . ?
C14 C22 1.536(3) . ?
C15 H15A 0.9800 . ?
C15 H15B 0.9800 . ?
C15 H15C 0.9800 . ?
C16 C17 1.533(3) . ?
C16 C18 1.545(3) . ?
C16 C19 1.573(3) . ?
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 H19 1.0000 . ?
C19 C20 1.540(3) . ?
C20 H20A 0.9900 . ?
C20 H20B 0.9900 . ?
C20 C21 1.509(4) . ?
C21 H21A 0.9900 . ?
C21 H21B 0.9900 . ?
C22 H22A 0.9900 . ?
C22 H22B 0.9900 . ?
C22 C23 1.516(4) . ?
C23 C24 1.521(4) . ?
C24 H24A 0.9900 . ?
C24 H24B 0.9900 . ?
C24 C25 1.551(3) . ?
C25 H25 1.0000 . ?
C26 H26A 0.9800 . ?
C26 H26B 0.9800 . ?
C26 H26C 0.9800 . ?
C27 H27A 0.9900 . ?
C27 H27B 0.9900 . ?
C27 C28 1.543(4) . ?
C27 C39 1.511(4) . ?
C28 H28 1.0000 . ?
C28 C29 1.552(3) . ?
C28 C43 1.571(4) . ?
C29 C37 1.539(3) . ?
C29 C40 1.522(3) . ?
C30 H30 1.0000 . ?
C30 C31 1.533(3) . ?
C30 C36 1.537(3) . ?
C31 H31 1.0000 . ?
C31 C49 1.527(3) . ?
C32 C33 1.539(4) . ?
C32 C34 1.537(4) . ?
C32 C52 1.533(4) . ?
C33 H33A 0.9800 . ?
C33 H33B 0.9800 . ?
C33 H33C 0.9800 . ?
C34 H34A 0.9800 . ?
C34 H34B 0.9800 . ?
C34 H34C 0.9800 . ?
C35 H35A 0.9800 . ?
C35 H35B 0.9800 . ?
C35 H35C 0.9800 . ?
C36 H36A 0.9900 . ?
C36 H36B 0.9900 . ?
C36 C37 1.553(4) . ?
C37 H37 1.0000 . ?
C37 C38 1.523(3) . ?
C38 H38 1.0000 . ?
C38 C39 1.536(4) . ?
C38 C50 1.532(4) . ?
C39 H39A 0.9900 . ?
C39 H39B 0.9900 . ?
C40 H40 1.0000 . ?
C40 C41 1.532(3) . ?
C40 C49 1.536(3) . ?
C41 C42 1.541(3) . ?
C41 C43 1.575(3) . ?
C41 C46 1.538(3) . ?
C42 H42A 0.9800 . ?
C42 H42B 0.9800 . ?
C42 H42C 0.9800 . ?
C43 C44 1.527(4) . ?
C43 C45 1.539(4) . ?
C44 H44A 0.9800 . ?
C44 H44B 0.9800 . ?
C44 H44C 0.9800 . ?
C45 H45A 0.9800 . ?
C45 H45B 0.9800 . ?
C45 H45C 0.9800 . ?
C46 H46A 0.9900 . ?
C46 H46B 0.9900 . ?
C46 C47 1.523(4) . ?
C47 C48 1.522(4) . ?
C48 H48A 0.9900 . ?
C48 H48B 0.9900 . ?
C48 C49 1.551(3) . ?
C49 H49 1.0000 . ?
C50 H50A 0.9800 . ?
C50 H50B 0.9800 . ?
C50 H50C 0.9800 . ?
C51 H51A 0.9800 . ?
C51 H51B 0.9800 . ?
C51 H51C 0.9800 . ?
C52 H52A 0.9800 . ?
C52 H52B 0.9800 . ?
C52 H52C 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
O1 Si1 C7 104.73(10) . . ?
O1 Si1 C11 110.65(11) . . ?
O1 Si1 C26 110.45(12) . . ?
C11 Si1 C7 112.13(13) . . ?
C11 Si1 C26 108.99(15) . . ?
C26 Si1 C7 109.84(13) . . ?
O5 Si2 C32 104.50(11) . . ?
O5 Si2 C35 111.58(11) . . ?
O5 Si2 C51 108.89(12) . . ?
C35 Si2 C32 110.95(13) . . ?
C35 Si2 C51 109.73(13) . . ?
C51 Si2 C32 111.09(13) . . ?
C6 O1 Si1 128.58(15) . . ?
C5 O3 C12 102.57(16) . . ?
C30 O4 C29 103.48(17) . . ?
C31 O5 Si2 128.90(15) . . ?
H1A C1 H1B 109.5 . . ?
H1A C1 H1C 109.5 . . ?
H1B C1 H1C 109.5 . . ?
C2 C1 H1A 109.5 . . ?
C2 C1 H1B 109.5 . . ?
C2 C1 H1C 109.5 . . ?
C1 C2 H2 107.4 . . ?
C1 C2 C3 111.42(19) . . ?
C1 C2 C21 110.6(2) . . ?
C3 C2 H2 107.4 . . ?
C3 C2 C21 112.2(2) . . ?
C21 C2 H2 107.4 . . ?
C2 C3 H3 110.7 . . ?
C2 C3 C4 111.43(19) . . ?
C4 C3 H3 110.7 . . ?
C12 C3 C2 111.35(18) . . ?
C12 C3 H3 110.7 . . ?
C12 C3 C4 101.63(18) . . ?
C3 C4 H4A 111.0 . . ?
C3 C4 H4B 111.0 . . ?
H4A C4 H4B 109.0 . . ?
C5 C4 C3 103.99(18) . . ?
C5 C4 H4A 111.0 . . ?
C5 C4 H4B 111.0 . . ?
O3 C5 C4 104.70(17) . . ?
O3 C5 H5 109.9 . . ?
O3 C5 C6 107.39(18) . . ?
C4 C5 H5 109.9 . . ?
C6 C5 C4 114.75(19) . . ?
C6 C5 H5 109.9 . . ?
O1 C6 C5 109.73(19) . . ?
O1 C6 H6 109.6 . . ?
O1 C6 C25 108.05(19) . . ?
C5 C6 H6 109.6 . . ?
C5 C6 C25 110.26(18) . . ?
C25 C6 H6 109.6 . . ?
C8 C7 Si1 110.43(18) . . ?
C8 C7 C10 108.9(2) . . ?
C9 C7 Si1 109.09(18) . . ?
C9 C7 C8 109.5(3) . . ?
C9 C7 C10 108.9(3) . . ?
C10 C7 Si1 109.93(19) . . ?
C7 C8 H8A 109.5 . . ?
C7 C8 H8B 109.5 . . ?
C7 C8 H8C 109.5 . . ?
H8A C8 H8B 109.5 . . ?
H8A C8 H8C 109.5 . . ?
H8B C8 H8C 109.5 . . ?
C7 C9 H9A 109.5 . . ?
C7 C9 H9B 109.5 . . ?
C7 C9 H9C 109.5 . . ?
H9A C9 H9B 109.5 . . ?
H9A C9 H9C 109.5 . . ?
H9B C9 H9C 109.5 . . ?
C7 C10 H10A 109.5 . . ?
C7 C10 H10B 109.5 . . ?
C7 C10 H10C 109.5 . . ?
H10A C10 H10B 109.5 . . ?
H10A C10 H10C 109.5 . . ?
H10B C10 H10C 109.5 . . ?
Si1 C11 H11A 109.5 . . ?
Si1 C11 H11B 109.5 . . ?
Si1 C11 H11C 109.5 . . ?
H11A C11 H11B 109.5 . . ?
H11A C11 H11C 109.5 . . ?
H11B C11 H11C 109.5 . . ?
O3 C12 C3 102.14(17) . . ?
O3 C12 C13 108.91(17) . . ?
O3 C12 C19 110.84(18) . . ?
C3 C12 C19 116.88(19) . . ?
C13 C12 C3 114.82(18) . . ?
C13 C12 C19 103.25(18) . . ?
C12 C13 H13 106.3 . . ?
C12 C13 C14 104.73(18) . . ?
C12 C13 C25 115.63(18) . . ?
C14 C13 H13 106.3 . . ?
C25 C13 H13 106.3 . . ?
C25 C13 C14 116.91(19) . . ?
C13 C14 C16 100.50(18) . . ?
C15 C14 C13 114.71(19) . . ?
C15 C14 C16 111.00(19) . . ?
C22 C14 C13 106.92(19) . . ?
C22 C14 C15 106.47(19) . . ?
C22 C14 C16 117.43(19) . . ?
C14 C15 H15A 109.5 . . ?
C14 C15 H15B 109.5 . . ?
C14 C15 H15C 109.5 . . ?
H15A C15 H15B 109.5 . . ?
H15A C15 H15C 109.5 . . ?
H15B C15 H15C 109.5 . . ?
C17 C16 C14 114.3(2) . . ?
C17 C16 C18 106.4(2) . . ?
C17 C16 C19 110.2(2) . . ?
C18 C16 C14 110.3(2) . . ?
C18 C16 C19 113.3(2) . . ?
C19 C16 C14 102.54(18) . . ?
C16 C17 H17A 109.5 . . ?
C16 C17 H17B 109.5 . . ?
C16 C17 H17C 109.5 . . ?
H17A C17 H17B 109.5 . . ?
H17A C17 H17C 109.5 . . ?
H17B C17 H17C 109.5 . . ?
C16 C18 H18A 109.5 . . ?
C16 C18 H18B 109.5 . . ?
C16 C18 H18C 109.5 . . ?
H18A C18 H18B 109.5 . . ?
H18A C18 H18C 109.5 . . ?
H18B C18 H18C 109.5 . . ?
C12 C19 C16 108.00(19) . . ?
C12 C19 H19 108.5 . . ?
C16 C19 H19 108.5 . . ?
C20 C19 C12 108.9(2) . . ?
C20 C19 C16 114.3(2) . . ?
C20 C19 H19 108.5 . . ?
C19 C20 H20A 109.2 . . ?
C19 C20 H20B 109.2 . . ?
H20A C20 H20B 107.9 . . ?
C21 C20 C19 111.9(2) . . ?
C21 C20 H20A 109.2 . . ?
C21 C20 H20B 109.2 . . ?
C2 C21 H21A 108.7 . . ?
C2 C21 H21B 108.7 . . ?
C20 C21 C2 114.4(2) . . ?
C20 C21 H21A 108.7 . . ?
C20 C21 H21B 108.7 . . ?
H21A C21 H21B 107.6 . . ?
C14 C22 H22A 109.9 . . ?
C14 C22 H22B 109.9 . . ?
H22A C22 H22B 108.3 . . ?
C23 C22 C14 109.0(2) . . ?
C23 C22 H22A 109.9 . . ?
C23 C22 H22B 109.9 . . ?
O2 C23 C22 121.6(2) . . ?
O2 C23 C24 120.0(2) . . ?
C22 C23 C24 118.4(2) . . ?
C23 C24 H24A 107.6 . . ?
C23 C24 H24B 107.6 . . ?
C23 C24 C25 118.8(2) . . ?
H24A C24 H24B 107.0 . . ?
C25 C24 H24A 107.6 . . ?
C25 C24 H24B 107.6 . . ?
C6 C25 C13 112.31(19) . . ?
C6 C25 C24 113.43(19) . . ?
C6 C25 H25 106.0 . . ?
C13 C25 C24 112.48(19) . . ?
C13 C25 H25 106.0 . . ?
C24 C25 H25 106.0 . . ?
Si1 C26 H26A 109.5 . . ?
Si1 C26 H26B 109.5 . . ?
Si1 C26 H26C 109.5 . . ?
H26A C26 H26B 109.5 . . ?
H26A C26 H26C 109.5 . . ?
H26B C26 H26C 109.5 . . ?
H27A C27 H27B 107.5 . . ?
C28 C27 H27A 108.5 . . ?
C28 C27 H27B 108.5 . . ?
C39 C27 H27A 108.5 . . ?
C39 C27 H27B 108.5 . . ?
C39 C27 C28 115.0(2) . . ?
C27 C28 H28 104.9 . . ?
C27 C28 C29 115.6(2) . . ?
C27 C28 C43 118.3(2) . . ?
C29 C28 H28 104.9 . . ?
C29 C28 C43 106.67(19) . . ?
C43 C28 H28 104.9 . . ?
O4 C29 C28 106.98(18) . . ?
O4 C29 C37 103.03(18) . . ?
O4 C29 C40 109.66(18) . . ?
C37 C29 C28 121.4(2) . . ?
C40 C29 C28 104.25(19) . . ?
C40 C29 C37 111.25(19) . . ?
O4 C30 H30 109.8 . . ?
O4 C30 C31 107.67(19) . . ?
O4 C30 C36 103.51(19) . . ?
C31 C30 H30 109.8 . . ?
C31 C30 C36 116.0(2) . . ?
C36 C30 H30 109.8 . . ?
O5 C31 C30 108.88(19) . . ?
O5 C31 H31 109.6 . . ?
O5 C31 C49 108.12(19) . . ?
C30 C31 H31 109.6 . . ?
C49 C31 C30 111.04(19) . . ?
C49 C31 H31 109.6 . . ?
C33 C32 Si2 108.76(19) . . ?
C34 C32 Si2 111.1(2) . . ?
C34 C32 C33 109.7(2) . . ?
C52 C32 Si2 109.4(2) . . ?
C52 C32 C33 109.5(3) . . ?
C52 C32 C34 108.5(2) . . ?
C32 C33 H33A 109.5 . . ?
C32 C33 H33B 109.5 . . ?
C32 C33 H33C 109.5 . . ?
H33A C33 H33B 109.5 . . ?
H33A C33 H33C 109.5 . . ?
H33B C33 H33C 109.5 . . ?
C32 C34 H34A 109.5 . . ?
C32 C34 H34B 109.5 . . ?
C32 C34 H34C 109.5 . . ?
H34A C34 H34B 109.5 . . ?
H34A C34 H34C 109.5 . . ?
H34B C34 H34C 109.5 . . ?
Si2 C35 H35A 109.5 . . ?
Si2 C35 H35B 109.5 . . ?
Si2 C35 H35C 109.5 . . ?
H35A C35 H35B 109.5 . . ?
H35A C35 H35C 109.5 . . ?
H35B C35 H35C 109.5 . . ?
C30 C36 H36A 110.9 . . ?
C30 C36 H36B 110.9 . . ?
C30 C36 C37 104.2(2) . . ?
H36A C36 H36B 108.9 . . ?
C37 C36 H36A 110.9 . . ?
C37 C36 H36B 110.9 . . ?
C29 C37 C36 102.56(19) . . ?
C29 C37 H37 108.6 . . ?
C36 C37 H37 108.6 . . ?
C38 C37 C29 112.2(2) . . ?
C38 C37 C36 116.0(2) . . ?
C38 C37 H37 108.6 . . ?
C37 C38 H38 108.6 . . ?
C37 C38 C39 107.6(2) . . ?
C37 C38 C50 111.3(2) . . ?
C39 C38 H38 108.6 . . ?
C50 C38 H38 108.6 . . ?
C50 C38 C39 112.0(2) . . ?
C27 C39 C38 111.2(2) . . ?
C27 C39 H39A 109.4 . . ?
C27 C39 H39B 109.4 . . ?
C38 C39 H39A 109.4 . . ?
C38 C39 H39B 109.4 . . ?
H39A C39 H39B 108.0 . . ?
C29 C40 H40 105.6 . . ?
C29 C40 C41 105.36(19) . . ?
C29 C40 C49 114.74(19) . . ?
C41 C40 H40 105.6 . . ?
C41 C40 C49 118.9(2) . . ?
C49 C40 H40 105.6 . . ?
C40 C41 C42 114.54(19) . . ?
C40 C41 C43 99.91(19) . . ?
C40 C41 C46 106.5(2) . . ?
C42 C41 C43 111.2(2) . . ?
C46 C41 C42 106.6(2) . . ?
C46 C41 C43 118.2(2) . . ?
C41 C42 H42A 109.5 . . ?
C41 C42 H42B 109.5 . . ?
C41 C42 H42C 109.5 . . ?
H42A C42 H42B 109.5 . . ?
H42A C42 H42C 109.5 . . ?
H42B C42 H42C 109.5 . . ?
C28 C43 C41 101.74(19) . . ?
C44 C43 C28 110.4(2) . . ?
C44 C43 C41 113.9(2) . . ?
C44 C43 C45 106.9(2) . . ?
C45 C43 C28 112.5(2) . . ?
C45 C43 C41 111.5(2) . . ?
C43 C44 H44A 109.5 . . ?
C43 C44 H44B 109.5 . . ?
C43 C44 H44C 109.5 . . ?
H44A C44 H44B 109.5 . . ?
H44A C44 H44C 109.5 . . ?
H44B C44 H44C 109.5 . . ?
C43 C45 H45A 109.5 . . ?
C43 C45 H45B 109.5 . . ?
C43 C45 H45C 109.5 . . ?
H45A C45 H45B 109.5 . . ?
H45A C45 H45C 109.5 . . ?
H45B C45 H45C 109.5 . . ?
C41 C46 H46A 110.0 . . ?
C41 C46 H46B 110.0 . . ?
H46A C46 H46B 108.4 . . ?
C47 C46 C41 108.6(2) . . ?
C47 C46 H46A 110.0 . . ?
C47 C46 H46B 110.0 . . ?
O6 C47 C46 121.7(2) . . ?
O6 C47 C48 120.2(2) . . ?
C48 C47 C46 118.1(2) . . ?
C47 C48 H48A 107.6 . . ?
C47 C48 H48B 107.6 . . ?
C47 C48 C49 118.9(2) . . ?
H48A C48 H48B 107.0 . . ?
C49 C48 H48A 107.6 . . ?
C49 C48 H48B 107.6 . . ?
C31 C49 C40 112.64(19) . . ?
C31 C49 C48 114.5(2) . . ?
C31 C49 H49 105.8 . . ?
C40 C49 C48 111.4(2) . . ?
C40 C49 H49 105.8 . . ?
C48 C49 H49 105.8 . . ?
C38 C50 H50A 109.5 . . ?
C38 C50 H50B 109.5 . . ?
C38 C50 H50C 109.5 . . ?
H50A C50 H50B 109.5 . . ?
H50A C50 H50C 109.5 . . ?
H50B C50 H50C 109.5 . . ?
Si2 C51 H51A 109.5 . . ?
Si2 C51 H51B 109.5 . . ?
Si2 C51 H51C 109.5 . . ?
H51A C51 H51B 109.5 . . ?
H51A C51 H51C 109.5 . . ?
H51B C51 H51C 109.5 . . ?
C32 C52 H52A 109.5 . . ?
C32 C52 H52B 109.5 . . ?
C32 C52 H52C 109.5 . . ?
H52A C52 H52B 109.5 . . ?
H52A C52 H52C 109.5 . . ?
H52B C52 H52C 109.5 . . ?

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
Si1 O1 C6 C5 -110.6(2) . . . . ?
Si1 O1 C6 C25 129.18(19) . . . . ?
Si2 O5 C31 C30 -103.3(2) . . . . ?
Si2 O5 C31 C49 135.97(18) . . . . ?
O1 Si1 C7 C8 65.3(2) . . . . ?
O1 Si1 C7 C9 -55.1(2) . . . . ?
O1 Si1 C7 C10 -174.5(2) . . . . ?
O1 C6 C25 C13 157.36(18) . . . . ?
O1 C6 C25 C24 -73.7(2) . . . . ?
O2 C23 C24 C25 157.7(3) . . . . ?
O3 C5 C6 O1 178.07(17) . . . . ?
O3 C5 C6 C25 -63.0(2) . . . . ?
O3 C12 C13 C14 -81.4(2) . . . . ?
O3 C12 C13 C25 48.8(2) . . . . ?
O3 C12 C19 C16 104.6(2) . . . . ?
O3 C12 C19 C20 -130.7(2) . . . . ?
O4 C29 C37 C36 -29.7(2) . . . . ?
O4 C29 C37 C38 95.5(2) . . . . ?
O4 C29 C40 C41 -83.7(2) . . . . ?
O4 C29 C40 C49 49.0(2) . . . . ?
O4 C30 C31 O5 179.56(18) . . . . ?
O4 C30 C31 C49 -61.5(2) . . . . ?
O4 C30 C36 C37 25.6(2) . . . . ?
O5 Si2 C32 C33 53.8(2) . . . . ?
O5 Si2 C32 C34 174.61(19) . . . . ?
O5 Si2 C32 C52 -65.7(2) . . . . ?
O5 C31 C49 C40 156.82(19) . . . . ?
O5 C31 C49 C48 -74.6(2) . . . . ?
O6 C47 C48 C49 155.2(2) . . . . ?
C1 C2 C3 C4 -70.9(3) . . . . ?
C1 C2 C3 C12 176.4(2) . . . . ?
C1 C2 C21 C20 -133.5(2) . . . . ?
C2 C3 C4 C5 -106.7(2) . . . . ?
C2 C3 C12 O3 81.1(2) . . . . ?
C2 C3 C12 C13 -161.25(18) . . . . ?
C2 C3 C12 C19 -40.1(3) . . . . ?
C3 C2 C21 C20 -8.4(3) . . . . ?
C3 C4 C5 O3 18.1(2) . . . . ?
C3 C4 C5 C6 -99.4(2) . . . . ?
C3 C12 C13 C14 164.78(18) . . . . ?
C3 C12 C13 C25 -65.0(3) . . . . ?
C3 C12 C19 C16 -138.9(2) . . . . ?
C3 C12 C19 C20 -14.2(3) . . . . ?
C4 C3 C12 O3 -37.7(2) . . . . ?
C4 C3 C12 C13 80.0(2) . . . . ?
C4 C3 C12 C19 -158.83(19) . . . . ?
C4 C5 C6 O1 -66.0(2) . . . . ?
C4 C5 C6 C25 52.9(3) . . . . ?
C5 O3 C12 C3 50.93(19) . . . . ?
C5 O3 C12 C13 -70.9(2) . . . . ?
C5 O3 C12 C19 176.16(18) . . . . ?
C5 C6 C25 C13 37.4(3) . . . . ?
C5 C6 C25 C24 166.37(19) . . . . ?
C7 Si1 O1 C6 -147.5(2) . . . . ?
C11 Si1 O1 C6 -26.5(2) . . . . ?
C11 Si1 C7 C8 -54.8(2) . . . . ?
C11 Si1 C7 C9 -175.2(2) . . . . ?
C11 Si1 C7 C10 65.5(2) . . . . ?
C12 O3 C5 C4 -42.9(2) . . . . ?
C12 O3 C5 C6 79.5(2) . . . . ?
C12 C3 C4 C5 12.0(2) . . . . ?
C12 C13 C14 C15 72.5(2) . . . . ?
C12 C13 C14 C16 -46.6(2) . . . . ?
C12 C13 C14 C22 -169.68(18) . . . . ?
C12 C13 C25 C6 -31.9(3) . . . . ?
C12 C13 C25 C24 -161.34(19) . . . . ?
C12 C19 C20 C21 59.2(3) . . . . ?
C13 C12 C19 C16 -11.9(2) . . . . ?
C13 C12 C19 C20 112.9(2) . . . . ?
C13 C14 C16 C17 156.5(2) . . . . ?
C13 C14 C16 C18 -83.7(2) . . . . ?
C13 C14 C16 C19 37.2(2) . . . . ?
C13 C14 C22 C23 -62.7(2) . . . . ?
C14 C13 C25 C6 92.1(2) . . . . ?
C14 C13 C25 C24 -37.3(3) . . . . ?
C14 C16 C19 C12 -16.2(2) . . . . ?
C14 C16 C19 C20 -137.6(2) . . . . ?
C14 C22 C23 O2 -135.1(3) . . . . ?
C14 C22 C23 C24 47.8(3) . . . . ?
C15 C14 C16 C17 34.7(3) . . . . ?
C15 C14 C16 C18 154.5(2) . . . . ?
C15 C14 C16 C19 -84.5(2) . . . . ?
C15 C14 C22 C23 60.4(3) . . . . ?
C16 C14 C22 C23 -174.5(2) . . . . ?
C16 C19 C20 C21 -179.9(2) . . . . ?
C17 C16 C19 C12 -138.2(2) . . . . ?
C17 C16 C19 C20 100.4(2) . . . . ?
C18 C16 C19 C12 102.7(2) . . . . ?
C18 C16 C19 C20 -18.7(3) . . . . ?
C19 C12 C13 C14 36.4(2) . . . . ?
C19 C12 C13 C25 166.60(19) . . . . ?
C19 C20 C21 C2 -48.1(3) . . . . ?
C21 C2 C3 C4 164.5(2) . . . . ?
C21 C2 C3 C12 51.8(3) . . . . ?
C22 C14 C16 C17 -88.1(3) . . . . ?
C22 C14 C16 C18 31.8(3) . . . . ?
C22 C14 C16 C19 152.7(2) . . . . ?
C22 C23 C24 C25 -25.2(3) . . . . ?
C23 C24 C25 C6 -110.8(2) . . . . ?
C23 C24 C25 C13 18.1(3) . . . . ?
C25 C13 C14 C15 -56.9(3) . . . . ?
C25 C13 C14 C16 -176.00(19) . . . . ?
C25 C13 C14 C22 60.9(2) . . . . ?
C26 Si1 O1 C6 94.3(2) . . . . ?
C26 Si1 C7 C8 -176.1(2) . . . . ?
C26 Si1 C7 C9 63.5(2) . . . . ?
C26 Si1 C7 C10 -55.9(2) . . . . ?
C27 C28 C29 O4 -112.4(2) . . . . ?
C27 C28 C29 C37 5.1(3) . . . . ?
C27 C28 C29 C40 131.5(2) . . . . ?
C27 C28 C43 C41 -157.7(2) . . . . ?
C27 C28 C43 C44 81.1(3) . . . . ?
C27 C28 C43 C45 -38.2(3) . . . . ?
C28 C27 C39 C38 51.0(3) . . . . ?
C28 C29 C37 C36 -149.1(2) . . . . ?
C28 C29 C37 C38 -24.0(3) . . . . ?
C28 C29 C40 C41 30.5(2) . . . . ?
C28 C29 C40 C49 163.26(19) . . . . ?
C29 O4 C30 C31 77.5(2) . . . . ?
C29 O4 C30 C36 -45.9(2) . . . . ?
C29 C28 C43 C41 -25.2(2) . . . . ?
C29 C28 C43 C44 -146.5(2) . . . . ?
C29 C28 C43 C45 94.2(2) . . . . ?
C29 C37 C38 C39 54.1(3) . . . . ?
C29 C37 C38 C50 177.2(2) . . . . ?
C29 C40 C41 C42 72.7(2) . . . . ?
C29 C40 C41 C43 -46.2(2) . . . . ?
C29 C40 C41 C46 -169.69(19) . . . . ?
C29 C40 C49 C31 -32.4(3) . . . . ?
C29 C40 C49 C48 -162.59(19) . . . . ?
C30 O4 C29 C28 176.85(19) . . . . ?
C30 O4 C29 C37 47.9(2) . . . . ?
C30 O4 C29 C40 -70.7(2) . . . . ?
C30 C31 C49 C40 37.4(3) . . . . ?
C30 C31 C49 C48 166.0(2) . . . . ?
C30 C36 C37 C29 2.7(2) . . . . ?
C30 C36 C37 C38 -119.9(2) . . . . ?
C31 C30 C36 C37 -92.0(2) . . . . ?
C32 Si2 O5 C31 144.6(2) . . . . ?
C35 Si2 O5 C31 24.6(2) . . . . ?
C35 Si2 C32 C33 174.2(2) . . . . ?
C35 Si2 C32 C34 -65.0(2) . . . . ?
C35 Si2 C32 C52 54.7(2) . . . . ?
C36 C30 C31 O5 -65.1(3) . . . . ?
C36 C30 C31 C49 53.8(3) . . . . ?
C36 C37 C38 C39 171.5(2) . . . . ?
C36 C37 C38 C50 -65.4(3) . . . . ?
C37 C29 C40 C41 162.99(19) . . . . ?
C37 C29 C40 C49 -64.3(2) . . . . ?
C37 C38 C39 C27 -69.8(3) . . . . ?
C39 C27 C28 C29 -18.3(3) . . . . ?
C39 C27 C28 C43 110.1(3) . . . . ?
C40 C29 C37 C36 87.7(2) . . . . ?
C40 C29 C37 C38 -147.1(2) . . . . ?
C40 C41 C43 C28 42.7(2) . . . . ?
C40 C41 C43 C44 161.6(2) . . . . ?
C40 C41 C43 C45 -77.4(3) . . . . ?
C40 C41 C46 C47 -62.3(2) . . . . ?
C41 C40 C49 C31 93.6(2) . . . . ?
C41 C40 C49 C48 -36.6(3) . . . . ?
C41 C46 C47 O6 -133.0(2) . . . . ?
C41 C46 C47 C48 49.9(3) . . . . ?
C42 C41 C43 C28 -78.6(2) . . . . ?
C42 C41 C43 C44 40.2(3) . . . . ?
C42 C41 C43 C45 161.3(2) . . . . ?
C42 C41 C46 C47 60.4(3) . . . . ?
C43 C28 C29 O4 113.7(2) . . . . ?
C43 C28 C29 C37 -128.8(2) . . . . ?
C43 C28 C29 C40 -2.4(2) . . . . ?
C43 C41 C46 C47 -173.6(2) . . . . ?
C46 C41 C43 C28 157.6(2) . . . . ?
C46 C41 C43 C44 -83.6(3) . . . . ?
C46 C41 C43 C45 37.5(3) . . . . ?
C46 C47 C48 C49 -27.6(3) . . . . ?
C47 C48 C49 C31 -110.7(2) . . . . ?
C47 C48 C49 C40 18.6(3) . . . . ?
C49 C40 C41 C42 -57.6(3) . . . . ?
C49 C40 C41 C43 -176.53(19) . . . . ?
C49 C40 C41 C46 60.0(3) . . . . ?
C50 C38 C39 C27 167.6(3) . . . . ?
C51 Si2 O5 C31 -96.7(2) . . . . ?
C51 Si2 C32 C33 -63.5(2) . . . . ?
C51 Si2 C32 C34 57.3(2) . . . . ?
C51 Si2 C32 C52 177.0(2) . . . . ?

_olex2_submission_special_instructions 'No special instructions were received'
