# Electronic Supplementary Material (ESI) for Organic Chemistry Frontiers.
# This journal is © the Partner Organisations 2020

####################################################################### 
# 
# 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_shelxl
_audit_block_doi                 10.5517/ccdc.csd.cc229y3g
_database_code_depnum_ccdc_archive 'CCDC 1916175'
loop_
_audit_author_name
_audit_author_address
'Changming Dong' 'Nankai university'
_audit_update_record             
;
2020-04-28 deposited with the CCDC.	2020-06-11 downloaded from the CCDC.
;
_audit_creation_date             2020-04-28
_audit_creation_method           
;
Olex2 1.2
(compiled 2018.05.29 svn.r3508 for OlexSys, GUI svn.r5506)
;
_shelx_SHELXL_version_number     2018/3
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C27 H44 O5 Si'
_chemical_formula_sum            'C27 H44 O5 Si'
_chemical_formula_weight         476.71
_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 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Si Si 0.0817 0.0704 '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, z+1/2'
'-x, y+1/2, -z+1/2'
'x+1/2, -y+1/2, -z'

_cell_length_a                   9.5716(19)
_cell_length_b                   12.164(2)
_cell_length_c                   23.632(5)
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_volume                     2751.4(9)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    7367
_cell_measurement_temperature    113(2)
_cell_measurement_theta_max      27.8944
_cell_measurement_theta_min      1.8830
_shelx_estimated_absorpt_T_max   0.986
_shelx_estimated_absorpt_T_min   0.977
_exptl_absorpt_coefficient_mu    0.118
_exptl_absorpt_correction_T_max  1
_exptl_absorpt_correction_T_min  0.8087
_exptl_absorpt_correction_type   none
_exptl_absorpt_process_details   crystalclear
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.151
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             1040
_exptl_crystal_size_max          0.2
_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  0.0681
_diffrn_reflns_av_unetI/netI     0.0599
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.999
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       23
_diffrn_reflns_limit_l_min       -31
_diffrn_reflns_number            27842
_diffrn_reflns_point_group_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 0.999
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         27.880
_diffrn_reflns_theta_min         1.723
_diffrn_ambient_temperature      113.15
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_device_type  'Bruker P4'
_diffrn_measurement_method       'ω scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   ?
_reflns_Friedel_coverage         0.778
_reflns_Friedel_fraction_full    1.000
_reflns_Friedel_fraction_max     1.000
_reflns_number_gt                5712
_reflns_number_total             6559
_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       crystalclear
_computing_data_collection       crystalclear
_computing_data_reduction        crystalclear
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'XL (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_refine_diff_density_max         0.205
_refine_diff_density_min         -0.228
_refine_diff_density_rms         0.053
_refine_ls_abs_structure_details 
;
 Flack x determined using 1934 quotients [(I+)-(I-)]/[(I+)+(I-)]
 (Parsons, Flack and Wagner, Acta Cryst. B69 (2013) 249-259).
;
_refine_ls_abs_structure_Flack   0.09(7)
_refine_ls_extinction_coef       0.026(3)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_extinction_method     'SHELXL-2018/3 (Sheldrick 2018)'
_refine_ls_goodness_of_fit_ref   1.081
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     309
_refine_ls_number_reflns         6559
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0630
_refine_ls_R_factor_gt           0.0517
_refine_ls_restrained_S_all      1.081
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0634P)²+0.0387P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1188
_refine_ls_wR_factor_ref         0.1251
_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:
 C1(H1), C2(H2), C3(H3A), C15(H15), C19(H19), C22(H22), C25(H25)
2.b Secondary CH2 refined with riding coordinates:
 C11(H11A,H11B), C13(H13A,H13B), C14(H14A,H14B), C18(H18A,H18B)
2.c Idealised Me refined as rotating group:
 C7(H7A,H7B,H7C), C12(H12A,H12B,H12C), C17(H17A,H17B,H17C), C20(H20A,H20B,
 H20C), C21(H21A,H21B,H21C), C23(H23A,H23B,H23C), C24(H24A,H24B,H24C), C26(H26A,
 H26B,H26C), C27(H27A,H27B,H27C)
2.d Idealised tetrahedral OH refined as rotating group:
 O3(H3)
2.e :
 C9(H9)
;
_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 0.67670(9) 0.46329(7) 0.06125(3) 0.0299(2) Uani 1 1 d . . . . .
O1 O 0.7628(2) 0.49066(15) 0.12065(8) 0.0284(4) Uani 1 1 d . . . . .
O2 O 0.58975(19) 0.37989(15) 0.20200(8) 0.0268(4) Uani 1 1 d . . . . .
O3 O 0.5370(2) 0.68311(15) 0.26128(9) 0.0333(5) Uani 1 1 d . . . . .
H3 H 0.513949 0.744788 0.274255 0.050 Uiso 1 1 calc GR . . . .
O4 O 0.9462(3) 0.4981(2) 0.37175(9) 0.0463(6) Uani 1 1 d . . . . .
O5 O 0.9539(2) 0.36105(17) 0.30849(9) 0.0400(5) Uani 1 1 d . . . . .
C1 C 0.8266(3) 0.4182(2) 0.16060(11) 0.0246(5) Uani 1 1 d . . . . .
H1 H 0.846257 0.346103 0.141918 0.030 Uiso 1 1 calc R . . . .
C2 C 0.7357(3) 0.3991(2) 0.21281(12) 0.0240(5) Uani 1 1 d . . . . .
H2 H 0.774826 0.336965 0.235552 0.029 Uiso 1 1 calc R . . . .
C3 C 0.7359(3) 0.5019(2) 0.24755(11) 0.0228(5) Uani 1 1 d . . . . .
H3A H 0.717076 0.561719 0.219545 0.027 Uiso 1 1 calc R . . . .
C4 C 0.8725(3) 0.5351(2) 0.27500(12) 0.0279(6) Uani 1 1 d . . . . .
C5 C 0.9827(3) 0.5256(2) 0.22831(11) 0.0278(6) Uani 1 1 d . . . . .
C6 C 0.9645(3) 0.4706(2) 0.17921(12) 0.0283(6) Uani 1 1 d . . . . .
C7 C 1.0816(3) 0.4600(3) 0.13695(14) 0.0400(7) Uani 1 1 d . . . . .
H7A H 1.065672 0.511005 0.105492 0.060 Uiso 1 1 calc GR . . . .
H7B H 1.084617 0.384530 0.122501 0.060 Uiso 1 1 calc GR . . . .
H7C H 1.170521 0.477614 0.155361 0.060 Uiso 1 1 calc GR . . . .
C8 C 1.1159(3) 0.5733(2) 0.24161(14) 0.0346(7) Uani 1 1 d . . . . .
C9 C 1.2247(3) 0.6136(3) 0.25329(17) 0.0485(9) Uani 1 1 d . . . . .
H9 H 1.312003 0.645981 0.262664 0.058 Uiso 1 1 calc R . . . .
C10 C 0.9257(3) 0.4641(3) 0.32455(13) 0.0329(6) Uani 1 1 d . . . . .
C11 C 1.0260(4) 0.2929(3) 0.35026(16) 0.0549(10) Uani 1 1 d . . . . .
H11A H 1.013661 0.214208 0.340701 0.066 Uiso 1 1 calc R . . . .
H11B H 0.985487 0.305691 0.388241 0.066 Uiso 1 1 calc R . . . .
C12 C 1.1816(5) 0.3216(4) 0.35075(19) 0.0732(13) Uani 1 1 d . . . . .
H12A H 1.217310 0.321803 0.311891 0.110 Uiso 1 1 calc GR . . . .
H12B H 1.232515 0.266806 0.373100 0.110 Uiso 1 1 calc GR . . . .
H12C H 1.194579 0.394493 0.367579 0.110 Uiso 1 1 calc GR . . . .
C13 C 0.8457(3) 0.6523(2) 0.29729(14) 0.0335(7) Uani 1 1 d . . . . .
H13A H 0.927444 0.676975 0.319569 0.040 Uiso 1 1 calc R . . . .
H13B H 0.834364 0.703041 0.264876 0.040 Uiso 1 1 calc R . . . .
C14 C 0.7141(3) 0.6569(3) 0.33460(13) 0.0358(7) Uani 1 1 d . . . . .
H14A H 0.731852 0.613984 0.369459 0.043 Uiso 1 1 calc R . . . .
H14B H 0.698211 0.734231 0.346015 0.043 Uiso 1 1 calc R . . . .
C15 C 0.5801(3) 0.6132(2) 0.30669(12) 0.0296(6) Uani 1 1 d . . . . .
H15 H 0.504081 0.610385 0.335688 0.036 Uiso 1 1 calc R . . . .
C16 C 0.6037(3) 0.4969(2) 0.28312(12) 0.0262(6) Uani 1 1 d . . . . .
C17 C 0.6068(4) 0.4122(3) 0.33112(13) 0.0362(7) Uani 1 1 d . . . . .
H17A H 0.514169 0.407518 0.348596 0.054 Uiso 1 1 calc GR . . . .
H17B H 0.675470 0.434725 0.359623 0.054 Uiso 1 1 calc GR . . . .
H17C H 0.632828 0.340143 0.315832 0.054 Uiso 1 1 calc GR . . . .
C18 C 0.5062(3) 0.4561(2) 0.23613(12) 0.0270(6) Uani 1 1 d . . . . .
H18A H 0.424161 0.417977 0.252491 0.032 Uiso 1 1 calc R . . . .
H18B H 0.472932 0.518325 0.212750 0.032 Uiso 1 1 calc R . . . .
C19 C 0.6963(4) 0.3129(3) 0.04288(12) 0.0381(7) Uani 1 1 d . . . . .
H19 H 0.797672 0.295176 0.047590 0.046 Uiso 1 1 calc R . . . .
C20 C 0.6172(4) 0.2347(3) 0.08189(14) 0.0483(9) Uani 1 1 d . . . . .
H20A H 0.516482 0.245497 0.077015 0.072 Uiso 1 1 calc GR . . . .
H20B H 0.642903 0.249669 0.121279 0.072 Uiso 1 1 calc GR . . . .
H20C H 0.641489 0.158584 0.072417 0.072 Uiso 1 1 calc GR . . . .
C21 C 0.6595(6) 0.2847(3) -0.01886(15) 0.0685(13) Uani 1 1 d . . . . .
H21A H 0.684261 0.207994 -0.026588 0.103 Uiso 1 1 calc GR . . . .
H21B H 0.711779 0.333067 -0.044403 0.103 Uiso 1 1 calc GR . . . .
H21C H 0.559094 0.295160 -0.024889 0.103 Uiso 1 1 calc GR . . . .
C22 C 0.4888(3) 0.5031(3) 0.07349(13) 0.0388(7) Uani 1 1 d . . . . .
H22 H 0.449468 0.447635 0.100345 0.047 Uiso 1 1 calc R . . . .
C23 C 0.3983(4) 0.4981(4) 0.02007(17) 0.0624(11) Uani 1 1 d . . . . .
H23A H 0.302474 0.520088 0.029360 0.094 Uiso 1 1 calc GR . . . .
H23B H 0.398026 0.422825 0.005238 0.094 Uiso 1 1 calc GR . . . .
H23C H 0.436361 0.548050 -0.008561 0.094 Uiso 1 1 calc GR . . . .
C24 C 0.4720(4) 0.6157(3) 0.10210(16) 0.0474(8) Uani 1 1 d . . . . .
H24A H 0.496912 0.673843 0.075251 0.071 Uiso 1 1 calc GR . . . .
H24B H 0.533573 0.619732 0.135163 0.071 Uiso 1 1 calc GR . . . .
H24C H 0.374786 0.625230 0.114148 0.071 Uiso 1 1 calc GR . . . .
C25 C 0.7593(4) 0.5443(3) 0.00187(13) 0.0418(8) Uani 1 1 d . . . . .
H25 H 0.710695 0.520299 -0.033497 0.050 Uiso 1 1 calc R . . . .
C26 C 0.7421(7) 0.6688(4) 0.0044(2) 0.101(2) Uani 1 1 d . . . . .
H26A H 0.792481 0.697554 0.037371 0.151 Uiso 1 1 calc GR . . . .
H26B H 0.642733 0.687091 0.007738 0.151 Uiso 1 1 calc GR . . . .
H26C H 0.780090 0.701771 -0.030126 0.151 Uiso 1 1 calc GR . . . .
C27 C 0.9109(4) 0.5158(5) -0.00629(19) 0.0819(17) Uani 1 1 d . . . . .
H27A H 0.945470 0.550694 -0.040943 0.123 Uiso 1 1 calc GR . . . .
H27B H 0.920910 0.435866 -0.009420 0.123 Uiso 1 1 calc GR . . . .
H27C H 0.964932 0.542296 0.026176 0.123 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 1.661(2) . ?
Si1 C19 1.889(3) . ?
Si1 C22 1.885(3) . ?
Si1 C25 1.888(3) . ?
O1 C1 1.428(3) . ?
O2 C2 1.439(3) . ?
O2 C18 1.466(3) . ?
O3 H3 0.8400 . ?
O3 C15 1.430(3) . ?
O4 C10 1.206(4) . ?
O5 C10 1.337(4) . ?
O5 C11 1.462(4) . ?
C1 H1 1.0000 . ?
C1 C2 1.528(4) . ?
C1 C6 1.530(4) . ?
C2 H2 1.0000 . ?
C2 C3 1.496(3) . ?
C3 H3A 1.0000 . ?
C3 C4 1.515(4) . ?
C3 C16 1.520(4) . ?
C4 C5 1.531(4) . ?
C4 C10 1.541(4) . ?
C4 C13 1.541(4) . ?
C5 C6 1.351(4) . ?
C5 C8 1.435(4) . ?
C6 C7 1.507(4) . ?
C7 H7A 0.9800 . ?
C7 H7B 0.9800 . ?
C7 H7C 0.9800 . ?
C8 C9 1.184(4) . ?
C9 H9 0.9500 . ?
C11 H11A 0.9900 . ?
C11 H11B 0.9900 . ?
C11 C12 1.530(6) . ?
C12 H12A 0.9800 . ?
C12 H12B 0.9800 . ?
C12 H12C 0.9800 . ?
C13 H13A 0.9900 . ?
C13 H13B 0.9900 . ?
C13 C14 1.538(4) . ?
C14 H14A 0.9900 . ?
C14 H14B 0.9900 . ?
C14 C15 1.538(4) . ?
C15 H15 1.0000 . ?
C15 C16 1.536(4) . ?
C16 C17 1.533(4) . ?
C16 C18 1.534(4) . ?
C17 H17A 0.9800 . ?
C17 H17B 0.9800 . ?
C17 H17C 0.9800 . ?
C18 H18A 0.9900 . ?
C18 H18B 0.9900 . ?
C19 H19 1.0000 . ?
C19 C20 1.526(4) . ?
C19 C21 1.540(5) . ?
C20 H20A 0.9800 . ?
C20 H20B 0.9800 . ?
C20 H20C 0.9800 . ?
C21 H21A 0.9800 . ?
C21 H21B 0.9800 . ?
C21 H21C 0.9800 . ?
C22 H22 1.0000 . ?
C22 C23 1.533(5) . ?
C22 C24 1.535(5) . ?
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 H25 1.0000 . ?
C25 C26 1.524(6) . ?
C25 C27 1.504(5) . ?
C26 H26A 0.9800 . ?
C26 H26B 0.9800 . ?
C26 H26C 0.9800 . ?
C27 H27A 0.9800 . ?
C27 H27B 0.9800 . ?
C27 H27C 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 C19 109.81(13) . . ?
O1 Si1 C22 106.98(12) . . ?
O1 Si1 C25 108.41(13) . . ?
C22 Si1 C19 112.27(15) . . ?
C22 Si1 C25 112.28(15) . . ?
C25 Si1 C19 107.04(15) . . ?
C1 O1 Si1 130.30(17) . . ?
C2 O2 C18 109.25(18) . . ?
C15 O3 H3 109.5 . . ?
C10 O5 C11 115.8(3) . . ?
O1 C1 H1 109.3 . . ?
O1 C1 C2 112.6(2) . . ?
O1 C1 C6 107.6(2) . . ?
C2 C1 H1 109.3 . . ?
C2 C1 C6 108.8(2) . . ?
C6 C1 H1 109.3 . . ?
O2 C2 C1 115.7(2) . . ?
O2 C2 H2 109.6 . . ?
O2 C2 C3 103.5(2) . . ?
C1 C2 H2 109.6 . . ?
C3 C2 C1 108.4(2) . . ?
C3 C2 H2 109.6 . . ?
C2 C3 H3A 104.2 . . ?
C2 C3 C4 117.3(2) . . ?
C2 C3 C16 105.6(2) . . ?
C4 C3 H3A 104.2 . . ?
C4 C3 C16 119.5(2) . . ?
C16 C3 H3A 104.2 . . ?
C3 C4 C5 105.4(2) . . ?
C3 C4 C10 117.5(2) . . ?
C3 C4 C13 104.4(2) . . ?
C5 C4 C10 106.1(2) . . ?
C5 C4 C13 115.5(2) . . ?
C13 C4 C10 108.3(2) . . ?
C6 C5 C4 124.6(2) . . ?
C6 C5 C8 120.2(3) . . ?
C8 C5 C4 115.1(2) . . ?
C5 C6 C1 124.4(2) . . ?
C5 C6 C7 121.0(3) . . ?
C7 C6 C1 114.5(2) . . ?
C6 C7 H7A 109.5 . . ?
C6 C7 H7B 109.5 . . ?
C6 C7 H7C 109.5 . . ?
H7A C7 H7B 109.5 . . ?
H7A C7 H7C 109.5 . . ?
H7B C7 H7C 109.5 . . ?
C9 C8 C5 178.9(4) . . ?
C8 C9 H9 180.0 . . ?
O4 C10 O5 123.5(3) . . ?
O4 C10 C4 124.4(3) . . ?
O5 C10 C4 112.1(2) . . ?
O5 C11 H11A 109.8 . . ?
O5 C11 H11B 109.8 . . ?
O5 C11 C12 109.6(3) . . ?
H11A C11 H11B 108.2 . . ?
C12 C11 H11A 109.8 . . ?
C12 C11 H11B 109.8 . . ?
C11 C12 H12A 109.5 . . ?
C11 C12 H12B 109.5 . . ?
C11 C12 H12C 109.5 . . ?
H12A C12 H12B 109.5 . . ?
H12A C12 H12C 109.5 . . ?
H12B C12 H12C 109.5 . . ?
C4 C13 H13A 109.3 . . ?
C4 C13 H13B 109.3 . . ?
H13A C13 H13B 108.0 . . ?
C14 C13 C4 111.5(2) . . ?
C14 C13 H13A 109.3 . . ?
C14 C13 H13B 109.3 . . ?
C13 C14 H14A 108.5 . . ?
C13 C14 H14B 108.5 . . ?
H14A C14 H14B 107.5 . . ?
C15 C14 C13 115.1(2) . . ?
C15 C14 H14A 108.5 . . ?
C15 C14 H14B 108.5 . . ?
O3 C15 C14 110.9(2) . . ?
O3 C15 H15 108.9 . . ?
O3 C15 C16 108.5(2) . . ?
C14 C15 H15 108.9 . . ?
C16 C15 C14 110.6(2) . . ?
C16 C15 H15 108.9 . . ?
C3 C16 C15 106.7(2) . . ?
C3 C16 C17 114.8(2) . . ?
C3 C16 C18 96.8(2) . . ?
C17 C16 C15 110.7(2) . . ?
C17 C16 C18 109.2(2) . . ?
C18 C16 C15 118.1(2) . . ?
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 . . ?
O2 C18 C16 105.7(2) . . ?
O2 C18 H18A 110.6 . . ?
O2 C18 H18B 110.6 . . ?
C16 C18 H18A 110.6 . . ?
C16 C18 H18B 110.6 . . ?
H18A C18 H18B 108.7 . . ?
Si1 C19 H19 106.2 . . ?
C20 C19 Si1 114.6(2) . . ?
C20 C19 H19 106.2 . . ?
C20 C19 C21 108.7(3) . . ?
C21 C19 Si1 114.2(3) . . ?
C21 C19 H19 106.2 . . ?
C19 C20 H20A 109.5 . . ?
C19 C20 H20B 109.5 . . ?
C19 C20 H20C 109.5 . . ?
H20A C20 H20B 109.5 . . ?
H20A C20 H20C 109.5 . . ?
H20B C20 H20C 109.5 . . ?
C19 C21 H21A 109.5 . . ?
C19 C21 H21B 109.5 . . ?
C19 C21 H21C 109.5 . . ?
H21A C21 H21B 109.5 . . ?
H21A C21 H21C 109.5 . . ?
H21B C21 H21C 109.5 . . ?
Si1 C22 H22 106.4 . . ?
C23 C22 Si1 113.8(2) . . ?
C23 C22 H22 106.4 . . ?
C23 C22 C24 109.8(3) . . ?
C24 C22 Si1 113.4(2) . . ?
C24 C22 H22 106.4 . . ?
C22 C23 H23A 109.5 . . ?
C22 C23 H23B 109.5 . . ?
C22 C23 H23C 109.5 . . ?
H23A C23 H23B 109.5 . . ?
H23A C23 H23C 109.5 . . ?
H23B C23 H23C 109.5 . . ?
C22 C24 H24A 109.5 . . ?
C22 C24 H24B 109.5 . . ?
C22 C24 H24C 109.5 . . ?
H24A C24 H24B 109.5 . . ?
H24A C24 H24C 109.5 . . ?
H24B C24 H24C 109.5 . . ?
Si1 C25 H25 105.9 . . ?
C26 C25 Si1 116.4(3) . . ?
C26 C25 H25 105.9 . . ?
C27 C25 Si1 112.2(3) . . ?
C27 C25 H25 105.9 . . ?
C27 C25 C26 109.8(4) . . ?
C25 C26 H26A 109.5 . . ?
C25 C26 H26B 109.5 . . ?
C25 C26 H26C 109.5 . . ?
H26A C26 H26B 109.5 . . ?
H26A C26 H26C 109.5 . . ?
H26B C26 H26C 109.5 . . ?
C25 C27 H27A 109.5 . . ?
C25 C27 H27B 109.5 . . ?
C25 C27 H27C 109.5 . . ?
H27A C27 H27B 109.5 . . ?
H27A C27 H27C 109.5 . . ?
H27B C27 H27C 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 C1 C2 -99.9(2) . . . . ?
Si1 O1 C1 C6 140.2(2) . . . . ?
O1 Si1 C19 C20 70.9(3) . . . . ?
O1 Si1 C19 C21 -162.8(3) . . . . ?
O1 Si1 C22 C23 172.0(3) . . . . ?
O1 Si1 C22 C24 45.6(3) . . . . ?
O1 Si1 C25 C26 -67.9(4) . . . . ?
O1 Si1 C25 C27 59.7(3) . . . . ?
O1 C1 C2 O2 43.9(3) . . . . ?
O1 C1 C2 C3 -71.8(3) . . . . ?
O1 C1 C6 C5 100.8(3) . . . . ?
O1 C1 C6 C7 -77.2(3) . . . . ?
O2 C2 C3 C4 169.7(2) . . . . ?
O2 C2 C3 C16 33.7(3) . . . . ?
O3 C15 C16 C3 71.4(3) . . . . ?
O3 C15 C16 C17 -163.1(2) . . . . ?
O3 C15 C16 C18 -36.1(3) . . . . ?
C1 C2 C3 C4 -66.9(3) . . . . ?
C1 C2 C3 C16 157.1(2) . . . . ?
C2 O2 C18 C16 -18.6(3) . . . . ?
C2 C1 C6 C5 -21.5(4) . . . . ?
C2 C1 C6 C7 160.6(2) . . . . ?
C2 C3 C4 C5 47.4(3) . . . . ?
C2 C3 C4 C10 -70.6(3) . . . . ?
C2 C3 C4 C13 169.6(2) . . . . ?
C2 C3 C16 C15 -164.9(2) . . . . ?
C2 C3 C16 C17 72.1(3) . . . . ?
C2 C3 C16 C18 -42.8(2) . . . . ?
C3 C4 C5 C6 -16.1(4) . . . . ?
C3 C4 C5 C8 168.5(2) . . . . ?
C3 C4 C10 O4 -120.1(3) . . . . ?
C3 C4 C10 O5 63.2(3) . . . . ?
C3 C4 C13 C14 53.0(3) . . . . ?
C3 C16 C18 O2 36.8(2) . . . . ?
C4 C3 C16 C15 60.2(3) . . . . ?
C4 C3 C16 C17 -62.8(3) . . . . ?
C4 C3 C16 C18 -177.7(2) . . . . ?
C4 C5 C6 C1 5.7(4) . . . . ?
C4 C5 C6 C7 -176.5(3) . . . . ?
C4 C13 C14 C15 -55.0(3) . . . . ?
C5 C4 C10 O4 122.3(3) . . . . ?
C5 C4 C10 O5 -54.4(3) . . . . ?
C5 C4 C13 C14 168.3(2) . . . . ?
C6 C1 C2 O2 163.1(2) . . . . ?
C6 C1 C2 C3 47.4(3) . . . . ?
C8 C5 C6 C1 -179.1(3) . . . . ?
C8 C5 C6 C7 -1.3(4) . . . . ?
C10 O5 C11 C12 -78.7(4) . . . . ?
C10 C4 C5 C6 109.2(3) . . . . ?
C10 C4 C5 C8 -66.2(3) . . . . ?
C10 C4 C13 C14 -72.9(3) . . . . ?
C11 O5 C10 O4 -6.3(5) . . . . ?
C11 O5 C10 C4 170.5(3) . . . . ?
C13 C4 C5 C6 -130.8(3) . . . . ?
C13 C4 C5 C8 53.8(3) . . . . ?
C13 C4 C10 O4 -2.3(4) . . . . ?
C13 C4 C10 O5 -179.0(2) . . . . ?
C13 C14 C15 O3 -67.5(3) . . . . ?
C13 C14 C15 C16 52.9(3) . . . . ?
C14 C15 C16 C3 -50.4(3) . . . . ?
C14 C15 C16 C17 75.1(3) . . . . ?
C14 C15 C16 C18 -157.9(2) . . . . ?
C15 C16 C18 O2 149.8(2) . . . . ?
C16 C3 C4 C5 177.2(2) . . . . ?
C16 C3 C4 C10 59.3(3) . . . . ?
C16 C3 C4 C13 -60.6(3) . . . . ?
C17 C16 C18 O2 -82.6(3) . . . . ?
C18 O2 C2 C1 -127.3(2) . . . . ?
C18 O2 C2 C3 -8.9(3) . . . . ?
C19 Si1 O1 C1 -9.8(3) . . . . ?
C19 Si1 C22 C23 -67.5(3) . . . . ?
C19 Si1 C22 C24 166.1(2) . . . . ?
C19 Si1 C25 C26 173.7(4) . . . . ?
C19 Si1 C25 C27 -58.7(3) . . . . ?
C22 Si1 O1 C1 112.3(2) . . . . ?
C22 Si1 C19 C20 -48.0(3) . . . . ?
C22 Si1 C19 C21 78.3(3) . . . . ?
C22 Si1 C25 C26 50.0(4) . . . . ?
C22 Si1 C25 C27 177.6(3) . . . . ?
C25 Si1 O1 C1 -126.5(2) . . . . ?
C25 Si1 C19 C20 -171.6(3) . . . . ?
C25 Si1 C19 C21 -45.4(3) . . . . ?
C25 Si1 C22 C23 53.2(3) . . . . ?
C25 Si1 C22 C24 -73.3(3) . . . . ?

_olex2_submission_special_instructions 'No special instructions were received'
