# Electronic Supplementary Material (ESI) for RSC Advances.
# This journal is © The Royal Society of Chemistry 2024

####################################################################### 
# 
# 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_210602_s1_yfz
_database_code_depnum_ccdc_archive 'CCDC 2362943'
loop_
_audit_author_name
_audit_author_address
'Yu Fangzhou'
;Sichuan University
China
;
_audit_update_record             
;
2024-06-15 deposited with the CCDC.	2024-06-18 downloaded from the CCDC.
;
_audit_creation_date             2021-06-30
_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         'C23 H36 O8 S Si'
_chemical_formula_sum            'C23 H36 O8 S Si'
_chemical_formula_weight         500.67
_chemical_melting_point          ?
_chemical_oxdiff_formula         c12h12n2o3s1si1
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'
S S 0.1246 0.1234 '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      triclinic
_space_group_IT_number           2
_space_group_name_H-M_alt        'P -1'
_space_group_name_Hall           '-P 1'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   9.1191(3)
_cell_length_b                   12.1448(7)
_cell_length_c                   12.1551(6)
_cell_angle_alpha                76.174(4)
_cell_angle_beta                 80.698(3)
_cell_angle_gamma                87.947(3)
_cell_volume                     1289.98(10)
_cell_formula_units_Z            2
_cell_measurement_reflns_used    2835
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      24.2760
_cell_measurement_theta_min      3.0690
_shelx_estimated_absorpt_T_max   0.948
_shelx_estimated_absorpt_T_min   0.928
_exptl_absorpt_coefficient_mu    0.215
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.88510
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
CrysAlisPro, Agilent Technologies,
Version 1.171.37.34 (release 22-05-2014 CrysAlis171 .NET)
(compiled May 22 2014,16:03:01)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            ?
_exptl_crystal_density_diffrn    1.289
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             536
_exptl_crystal_size_max          0.35
_exptl_crystal_size_mid          0.3
_exptl_crystal_size_min          0.25
_exptl_special_details           
;
 ? 
;
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0210
_diffrn_reflns_av_unetI/netI     0.0437
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.998
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_limit_l_min       -14
_diffrn_reflns_number            10610
_diffrn_reflns_point_group_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.998
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         26.373
_diffrn_reflns_theta_min         2.917
_diffrn_ambient_temperature      293.15
_diffrn_detector                 'CCD plate'
_diffrn_detector_area_resol_mean 16.0874
_diffrn_detector_type            Eos
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_details      
;
#__ type_ start__ end____ width___ exp.time_
  1 omega  -83.00   11.00   1.0000   14.0000
omega____ theta____ kappa____ phi______ frames
    -      -15.4773  -77.0000  -60.0000 94

#__ type_ start__ end____ width___ exp.time_
  2 omega  -42.00   48.00   1.0000   14.0000
omega____ theta____ kappa____ phi______ frames
    -      -15.4773   77.0000   60.0000 90

#__ type_ start__ end____ width___ exp.time_
  3 omega  -20.00   21.00   1.0000   14.0000
omega____ theta____ kappa____ phi______ frames
    -      -15.4773  -99.0000 -180.0000 41

#__ type_ start__ end____ width___ exp.time_
  4 omega  -87.00  -36.00   1.0000   14.0000
omega____ theta____ kappa____ phi______ frames
    -      -15.4773 -178.0000   90.0000 51

#__ type_ start__ end____ width___ exp.time_
  5 omega   -4.00   87.00   1.0000   14.0000
omega____ theta____ kappa____ phi______ frames
    -       17.5086   19.0000 -120.0000 91

#__ type_ start__ end____ width___ exp.time_
  6 omega   -1.00   24.00   1.0000   14.0000
omega____ theta____ kappa____ phi______ frames
    -       17.5086   38.0000 -150.0000 25
;
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'Xcalibur, Eos'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_UB_11      0.0534929000
_diffrn_orient_matrix_UB_12      -0.0353299000
_diffrn_orient_matrix_UB_13      0.0275193000
_diffrn_orient_matrix_UB_21      -0.0285343000
_diffrn_orient_matrix_UB_22      0.0150119000
_diffrn_orient_matrix_UB_23      0.0522683000
_diffrn_orient_matrix_UB_31      -0.0503654000
_diffrn_orient_matrix_UB_32      -0.0463040000
_diffrn_orient_matrix_UB_33      0.0146397000
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   'Enhance (Mo) X-ray Source'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                3208
_reflns_number_total             5268
_reflns_odcompleteness_completeness 99.77
_reflns_odcompleteness_iscentric 1
_reflns_odcompleteness_theta     26.32
_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       
;
CrysAlisPro, Agilent Technologies,
Version 1.171.37.34 (release 22-05-2014 CrysAlis171 .NET)
(compiled May 22 2014,16:03:01)
;
_computing_data_collection       
;
CrysAlisPro, Agilent Technologies,
Version 1.171.37.34 (release 22-05-2014 CrysAlis171 .NET)
(compiled May 22 2014,16:03:01)
;
_computing_data_reduction        
;
CrysAlisPro, Agilent Technologies,
Version 1.171.37.34 (release 22-05-2014 CrysAlis171 .NET)
(compiled May 22 2014,16:03:01)
;
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'ShelXL (Sheldrick, 2015)'
_computing_structure_solution    'ShelXS (Sheldrick, 2008)'
_refine_diff_density_max         0.925
_refine_diff_density_min         -0.521
_refine_diff_density_rms         0.075
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.058
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     280
_refine_ls_number_reflns         5268
_refine_ls_number_restraints     2
_refine_ls_R_factor_all          0.1343
_refine_ls_R_factor_gt           0.0922
_refine_ls_restrained_S_all      1.083
_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)+(0.1682P)²+0.8411P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2675
_refine_ls_wR_factor_ref         0.3068
_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. Restrained distances
 C22-C23 = C20-C21
 1.55 with sigma of 0.02
3. Uiso/Uaniso restraints and constraints
Uanis(C23) = Uanis(C21) = Uanis(C19)
Uanis(C22) = Uanis(C20) = Uanis(C18)
4.a Ternary CH refined with riding coordinates:
 C1(H1), C3(H3), C4(H4), C8(H8), C10(H10), C11(H11)
4.b Secondary CH2 refined with riding coordinates:
 C9(H9A,H9B), C12(H12A,H12B), C18(H18A,H18B), C20(H20A,H20B), C22(H22A,H22B)
4.c Aromatic/amide H refined with riding coordinates:
 C6(H6), C7(H7)
4.d Idealised Me refined as rotating group:
 C15(H15A,H15B,H15C), C16(H16A,H16B,H16C), C17(H17A,H17B,H17C), C19(H19A,H19B,
 H19C), C21(H21A,H21B,H21C), C23(H23A,H23B,H23C)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_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
S1 S 0.25015(12) 0.47100(9) 0.56377(12) 0.0633(4) Uani 1 1 d . . . . .
Si1 Si -0.09591(18) 0.75180(15) 0.87969(14) 0.0821(5) Uani 1 1 d . . . . .
O1 O 0.4439(5) 0.8503(5) 0.2857(4) 0.1206(18) Uani 1 1 d . . . . .
O2 O 0.2926(5) 0.7153(4) 0.2793(4) 0.1072(15) Uani 1 1 d . . . . .
O3 O 0.2810(3) 0.6013(2) 0.5435(3) 0.0559(8) Uani 1 1 d . . . . .
O4 O 0.3624(4) 0.4173(3) 0.6268(4) 0.0827(11) Uani 1 1 d . . . . .
O5 O 0.0966(4) 0.4490(3) 0.6099(4) 0.0823(11) Uani 1 1 d . . . . .
O6 O 0.0077(3) 0.8060(3) 0.7567(3) 0.0643(8) Uani 1 1 d . . . . .
O7 O 0.2957(5) 0.9034(4) 0.7981(4) 0.1009(14) Uani 1 1 d . . . . .
O8 O -0.1474(3) 0.8444(3) 0.5417(3) 0.0774(10) Uani 1 1 d . . . . .
C1 C 0.3173(5) 0.8566(4) 0.5074(4) 0.0616(12) Uani 1 1 d . . . . .
H1 H 0.343234 0.932458 0.459296 0.074 Uiso 1 1 calc R . . . .
C2 C 0.2357(5) 0.7968(4) 0.4367(4) 0.0591(11) Uani 1 1 d . . . . .
C3 C 0.1667(4) 0.6827(3) 0.5054(4) 0.0515(10) Uani 1 1 d . . . . .
H3 H 0.112043 0.651937 0.456272 0.062 Uiso 1 1 calc R . . . .
C4 C 0.0560(4) 0.7174(3) 0.5984(4) 0.0475(9) Uani 1 1 d . . . . .
H4 H -0.013546 0.655721 0.638442 0.057 Uiso 1 1 calc R . . . .
C5 C 0.1274(4) 0.7666(3) 0.6841(4) 0.0505(10) Uani 1 1 d . . . . .
C6 C 0.2215(5) 0.6788(4) 0.7494(4) 0.0551(10) Uani 1 1 d . . . . .
H6 H 0.176330 0.612500 0.795507 0.066 Uiso 1 1 calc R . . . .
C7 C 0.3637(5) 0.6916(4) 0.7440(4) 0.0686(13) Uani 1 1 d . . . . .
H7 H 0.416992 0.633765 0.785043 0.082 Uiso 1 1 calc R . . . .
C8 C 0.4444(5) 0.7971(4) 0.6737(5) 0.0747(15) Uani 1 1 d . . . . .
H8 H 0.539397 0.805655 0.698632 0.090 Uiso 1 1 calc R . . . .
C9 C 0.4641(5) 0.8030(4) 0.5451(5) 0.0692(13) Uani 1 1 d . . . . .
H9A H 0.478128 0.727831 0.530636 0.083 Uiso 1 1 calc R . . . .
H9B H 0.548915 0.849867 0.504404 0.083 Uiso 1 1 calc R . . . .
C10 C 0.2196(5) 0.8741(3) 0.6181(4) 0.0579(11) Uani 1 1 d . . . . .
H10 H 0.154829 0.940087 0.601185 0.069 Uiso 1 1 calc R . . . .
C11 C 0.3418(6) 0.8979(5) 0.6832(6) 0.0807(16) Uani 1 1 d . . . . .
H11 H 0.393698 0.968232 0.640739 0.097 Uiso 1 1 calc R . . . .
C12 C 0.0883(5) 0.8608(4) 0.4149(4) 0.0674(13) Uani 1 1 d . . . . .
H12A H 0.100851 0.941856 0.403895 0.081 Uiso 1 1 calc R . . . .
H12B H 0.054845 0.846298 0.347815 0.081 Uiso 1 1 calc R . . . .
C13 C -0.0203(4) 0.8131(4) 0.5223(4) 0.0570(11) Uani 1 1 d . . . . .
C14 C 0.3384(7) 0.7918(5) 0.3259(5) 0.0799(15) Uani 1 1 d . . . . .
C15 C 0.3888(12) 0.7117(10) 0.1686(8) 0.171(4) Uani 1 1 d . . . . .
H15A H 0.491344 0.714060 0.177292 0.256 Uiso 1 1 calc GR . . . .
H15B H 0.367279 0.775725 0.109899 0.256 Uiso 1 1 calc GR . . . .
H15C H 0.369718 0.642956 0.147354 0.256 Uiso 1 1 calc GR . . . .
C16 C 0.2838(6) 0.4471(5) 0.4267(5) 0.0767(15) Uani 1 1 d . . . . .
H16A H 0.383963 0.468795 0.392038 0.115 Uiso 1 1 calc GR . . . .
H16B H 0.215965 0.491163 0.381055 0.115 Uiso 1 1 calc GR . . . .
H16C H 0.269939 0.368048 0.431140 0.115 Uiso 1 1 calc GR . . . .
C17 C 0.2256(9) 1.0076(7) 0.8043(9) 0.137(3) Uani 1 1 d . . . . .
H17A H 0.194595 1.009141 0.883240 0.206 Uiso 1 1 calc GR . . . .
H17B H 0.140434 1.015976 0.765782 0.206 Uiso 1 1 calc GR . . . .
H17C H 0.294024 1.068685 0.768069 0.206 Uiso 1 1 calc GR . . . .
C18 C -0.1971(11) 0.6261(9) 0.8650(8) 0.152(2) Uani 1 1 d . . . . .
H18A H -0.248559 0.649002 0.799277 0.183 Uiso 1 1 calc R . . . .
H18B H -0.124897 0.568940 0.849507 0.183 Uiso 1 1 calc R . . . .
C19 C -0.3102(16) 0.5726(12) 0.9704(11) 0.226(4) Uani 1 1 d . . . . .
H19A H -0.261120 0.551231 1.036529 0.340 Uiso 1 1 calc GR . . . .
H19B H -0.353397 0.506668 0.957789 0.340 Uiso 1 1 calc GR . . . .
H19C H -0.386923 0.626534 0.982998 0.340 Uiso 1 1 calc GR . . . .
C20 C 0.0175(11) 0.7169(10) 0.9958(8) 0.152(2) Uani 1 1 d D . . . .
H20A H 0.053222 0.640182 0.999054 0.183 Uiso 1 1 calc R . . . .
H20B H 0.104023 0.766041 0.971102 0.183 Uiso 1 1 calc R . . . .
C21 C -0.0404(18) 0.7225(13) 1.1146(11) 0.226(4) Uani 1 1 d D . . . .
H21A H 0.026579 0.684008 1.164465 0.340 Uiso 1 1 calc GR . . . .
H21B H -0.136241 0.686719 1.137807 0.340 Uiso 1 1 calc GR . . . .
H21C H -0.049123 0.800349 1.119128 0.340 Uiso 1 1 calc GR . . . .
C22 C -0.2139(12) 0.8648(10) 0.9074(9) 0.152(2) Uani 1 1 d D . . . .
H22A H -0.260881 0.840458 0.986789 0.183 Uiso 1 1 calc R . . . .
H22B H -0.148464 0.927175 0.904153 0.183 Uiso 1 1 calc R . . . .
C23 C -0.3143(17) 0.9069(14) 0.8528(12) 0.226(4) Uani 1 1 d D . . . .
H23A H -0.407647 0.898388 0.903466 0.340 Uiso 1 1 calc GR . . . .
H23B H -0.318670 0.868923 0.792632 0.340 Uiso 1 1 calc GR . . . .
H23C H -0.294095 0.986042 0.820024 0.340 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
S1 O3 1.571(3) . ?
S1 O4 1.424(3) . ?
S1 O5 1.431(4) . ?
S1 C16 1.736(6) . ?
Si1 O6 1.637(4) . ?
Si1 C18 1.871(11) . ?
Si1 C20 1.843(10) . ?
Si1 C22 1.776(10) . ?
O1 C14 1.183(7) . ?
O2 C14 1.310(7) . ?
O2 C15 1.492(9) . ?
O3 C3 1.464(4) . ?
O6 C5 1.432(5) . ?
O7 C11 1.408(7) . ?
O7 C17 1.410(9) . ?
O8 C13 1.211(5) . ?
C1 H1 0.9800 . ?
C1 C2 1.537(7) . ?
C1 C9 1.556(6) . ?
C1 C10 1.544(7) . ?
C2 C3 1.534(6) . ?
C2 C12 1.556(6) . ?
C2 C14 1.524(7) . ?
C3 H3 0.9800 . ?
C3 C4 1.517(6) . ?
C4 H4 0.9800 . ?
C4 C5 1.553(6) . ?
C4 C13 1.525(6) . ?
C5 C6 1.501(6) . ?
C5 C10 1.554(6) . ?
C6 H6 0.9300 . ?
C6 C7 1.301(6) . ?
C7 H7 0.9300 . ?
C7 C8 1.501(7) . ?
C8 H8 0.9800 . ?
C8 C9 1.529(8) . ?
C8 C11 1.529(8) . ?
C9 H9A 0.9700 . ?
C9 H9B 0.9700 . ?
C10 H10 0.9800 . ?
C10 C11 1.540(7) . ?
C11 H11 0.9800 . ?
C12 H12A 0.9700 . ?
C12 H12B 0.9700 . ?
C12 C13 1.511(7) . ?
C15 H15A 0.9600 . ?
C15 H15B 0.9600 . ?
C15 H15C 0.9600 . ?
C16 H16A 0.9600 . ?
C16 H16B 0.9600 . ?
C16 H16C 0.9600 . ?
C17 H17A 0.9600 . ?
C17 H17B 0.9600 . ?
C17 H17C 0.9600 . ?
C18 H18A 0.9700 . ?
C18 H18B 0.9700 . ?
C18 C19 1.533(14) . ?
C19 H19A 0.9600 . ?
C19 H19B 0.9600 . ?
C19 H19C 0.9600 . ?
C20 H20A 0.9700 . ?
C20 H20B 0.9700 . ?
C20 C21 1.472(12) . ?
C21 H21A 0.9600 . ?
C21 H21B 0.9600 . ?
C21 H21C 0.9600 . ?
C22 H22A 0.9700 . ?
C22 H22B 0.9700 . ?
C22 C23 1.241(12) . ?
C23 H23A 0.9600 . ?
C23 H23B 0.9600 . ?
C23 H23C 0.9600 . ?

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
O3 S1 C16 103.8(2) . . ?
O4 S1 O3 104.46(18) . . ?
O4 S1 O5 120.2(2) . . ?
O4 S1 C16 109.4(3) . . ?
O5 S1 O3 108.88(19) . . ?
O5 S1 C16 108.8(3) . . ?
O6 Si1 C18 108.5(3) . . ?
O6 Si1 C20 110.6(3) . . ?
O6 Si1 C22 104.4(3) . . ?
C20 Si1 C18 112.9(5) . . ?
C22 Si1 C18 114.0(5) . . ?
C22 Si1 C20 106.2(5) . . ?
C14 O2 C15 111.7(7) . . ?
C3 O3 S1 119.2(2) . . ?
C5 O6 Si1 135.8(3) . . ?
C11 O7 C17 111.0(6) . . ?
C2 C1 H1 106.4 . . ?
C2 C1 C9 118.0(4) . . ?
C2 C1 C10 113.5(3) . . ?
C9 C1 H1 106.4 . . ?
C10 C1 H1 106.4 . . ?
C10 C1 C9 105.5(4) . . ?
C1 C2 C12 109.1(4) . . ?
C3 C2 C1 113.4(4) . . ?
C3 C2 C12 97.6(3) . . ?
C14 C2 C1 108.9(4) . . ?
C14 C2 C3 114.8(4) . . ?
C14 C2 C12 112.7(4) . . ?
O3 C3 C2 111.3(3) . . ?
O3 C3 H3 108.8 . . ?
O3 C3 C4 116.7(3) . . ?
C2 C3 H3 108.8 . . ?
C4 C3 C2 102.3(3) . . ?
C4 C3 H3 108.8 . . ?
C3 C4 H4 111.5 . . ?
C3 C4 C5 114.5(3) . . ?
C3 C4 C13 98.4(3) . . ?
C5 C4 H4 111.5 . . ?
C13 C4 H4 111.5 . . ?
C13 C4 C5 108.9(3) . . ?
O6 C5 C4 106.6(3) . . ?
O6 C5 C6 113.1(4) . . ?
O6 C5 C10 105.5(3) . . ?
C4 C5 C10 109.5(3) . . ?
C6 C5 C4 110.5(3) . . ?
C6 C5 C10 111.4(3) . . ?
C5 C6 H6 118.7 . . ?
C7 C6 C5 122.6(4) . . ?
C7 C6 H6 118.7 . . ?
C6 C7 H7 119.0 . . ?
C6 C7 C8 122.0(4) . . ?
C8 C7 H7 119.0 . . ?
C7 C8 H8 111.6 . . ?
C7 C8 C9 112.2(4) . . ?
C7 C8 C11 107.7(4) . . ?
C9 C8 H8 111.6 . . ?
C9 C8 C11 101.7(4) . . ?
C11 C8 H8 111.6 . . ?
C1 C9 H9A 110.8 . . ?
C1 C9 H9B 110.8 . . ?
C8 C9 C1 104.6(4) . . ?
C8 C9 H9A 110.8 . . ?
C8 C9 H9B 110.8 . . ?
H9A C9 H9B 108.9 . . ?
C1 C10 C5 112.3(4) . . ?
C1 C10 H10 110.9 . . ?
C5 C10 H10 110.9 . . ?
C11 C10 C1 99.6(4) . . ?
C11 C10 C5 111.9(4) . . ?
C11 C10 H10 110.9 . . ?
O7 C11 C8 112.1(5) . . ?
O7 C11 C10 116.4(4) . . ?
O7 C11 H11 109.3 . . ?
C8 C11 C10 100.2(4) . . ?
C8 C11 H11 109.3 . . ?
C10 C11 H11 109.3 . . ?
C2 C12 H12A 110.9 . . ?
C2 C12 H12B 110.9 . . ?
H12A C12 H12B 109.0 . . ?
C13 C12 C2 104.1(4) . . ?
C13 C12 H12A 110.9 . . ?
C13 C12 H12B 110.9 . . ?
O8 C13 C4 126.6(4) . . ?
O8 C13 C12 125.0(4) . . ?
C12 C13 C4 108.4(3) . . ?
O1 C14 O2 124.2(6) . . ?
O1 C14 C2 124.9(6) . . ?
O2 C14 C2 110.9(5) . . ?
O2 C15 H15A 109.5 . . ?
O2 C15 H15B 109.5 . . ?
O2 C15 H15C 109.5 . . ?
H15A C15 H15B 109.5 . . ?
H15A C15 H15C 109.5 . . ?
H15B C15 H15C 109.5 . . ?
S1 C16 H16A 109.5 . . ?
S1 C16 H16B 109.5 . . ?
S1 C16 H16C 109.5 . . ?
H16A C16 H16B 109.5 . . ?
H16A C16 H16C 109.5 . . ?
H16B C16 H16C 109.5 . . ?
O7 C17 H17A 109.5 . . ?
O7 C17 H17B 109.5 . . ?
O7 C17 H17C 109.5 . . ?
H17A C17 H17B 109.5 . . ?
H17A C17 H17C 109.5 . . ?
H17B C17 H17C 109.5 . . ?
Si1 C18 H18A 108.6 . . ?
Si1 C18 H18B 108.6 . . ?
H18A C18 H18B 107.6 . . ?
C19 C18 Si1 114.5(8) . . ?
C19 C18 H18A 108.6 . . ?
C19 C18 H18B 108.6 . . ?
C18 C19 H19A 109.5 . . ?
C18 C19 H19B 109.5 . . ?
C18 C19 H19C 109.5 . . ?
H19A C19 H19B 109.5 . . ?
H19A C19 H19C 109.5 . . ?
H19B C19 H19C 109.5 . . ?
Si1 C20 H20A 106.6 . . ?
Si1 C20 H20B 106.6 . . ?
H20A C20 H20B 106.6 . . ?
C21 C20 Si1 122.9(8) . . ?
C21 C20 H20A 106.6 . . ?
C21 C20 H20B 106.6 . . ?
C20 C21 H21A 109.5 . . ?
C20 C21 H21B 109.5 . . ?
C20 C21 H21C 109.5 . . ?
H21A C21 H21B 109.5 . . ?
H21A C21 H21C 109.5 . . ?
H21B C21 H21C 109.5 . . ?
Si1 C22 H22A 105.9 . . ?
Si1 C22 H22B 105.9 . . ?
H22A C22 H22B 106.2 . . ?
C23 C22 Si1 125.7(11) . . ?
C23 C22 H22A 105.9 . . ?
C23 C22 H22B 105.9 . . ?
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 . . ?

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
S1 O3 C3 C2 -152.5(3) . . . . ?
S1 O3 C3 C4 90.7(4) . . . . ?
Si1 O6 C5 C4 91.4(4) . . . . ?
Si1 O6 C5 C6 -30.2(5) . . . . ?
Si1 O6 C5 C10 -152.2(3) . . . . ?
O3 C3 C4 C5 55.8(4) . . . . ?
O3 C3 C4 C13 171.1(3) . . . . ?
O4 S1 O3 C3 -165.5(3) . . . . ?
O5 S1 O3 C3 -36.0(4) . . . . ?
O6 Si1 C18 C19 -174.6(8) . . . . ?
O6 Si1 C20 C21 148.3(10) . . . . ?
O6 Si1 C22 C23 68.4(13) . . . . ?
O6 C5 C6 C7 -122.1(5) . . . . ?
O6 C5 C10 C1 -159.5(3) . . . . ?
O6 C5 C10 C11 89.5(4) . . . . ?
C1 C2 C3 O3 -63.5(5) . . . . ?
C1 C2 C3 C4 61.9(4) . . . . ?
C1 C2 C12 C13 -83.6(4) . . . . ?
C1 C2 C14 O1 -19.4(7) . . . . ?
C1 C2 C14 O2 161.8(4) . . . . ?
C1 C10 C11 O7 -171.7(4) . . . . ?
C1 C10 C11 C8 -50.7(5) . . . . ?
C2 C1 C9 C8 -130.1(4) . . . . ?
C2 C1 C10 C5 44.4(5) . . . . ?
C2 C1 C10 C11 163.0(4) . . . . ?
C2 C3 C4 C5 -65.8(4) . . . . ?
C2 C3 C4 C13 49.4(4) . . . . ?
C2 C12 C13 O8 176.8(4) . . . . ?
C2 C12 C13 C4 -5.2(5) . . . . ?
C3 C2 C12 C13 34.4(4) . . . . ?
C3 C2 C14 O1 -147.8(6) . . . . ?
C3 C2 C14 O2 33.5(6) . . . . ?
C3 C4 C5 O6 173.7(3) . . . . ?
C3 C4 C5 C6 -63.1(4) . . . . ?
C3 C4 C5 C10 60.0(4) . . . . ?
C3 C4 C13 O8 151.4(5) . . . . ?
C3 C4 C13 C12 -26.6(4) . . . . ?
C4 C5 C6 C7 118.5(5) . . . . ?
C4 C5 C10 C1 -45.1(4) . . . . ?
C4 C5 C10 C11 -156.2(4) . . . . ?
C5 C4 C13 O8 -89.1(5) . . . . ?
C5 C4 C13 C12 92.9(4) . . . . ?
C5 C6 C7 C8 1.3(8) . . . . ?
C5 C10 C11 O7 -52.8(6) . . . . ?
C5 C10 C11 C8 68.2(5) . . . . ?
C6 C5 C10 C1 77.4(5) . . . . ?
C6 C5 C10 C11 -33.6(5) . . . . ?
C6 C7 C8 C9 -73.8(6) . . . . ?
C6 C7 C8 C11 37.3(7) . . . . ?
C7 C8 C9 C1 85.4(5) . . . . ?
C7 C8 C11 O7 56.2(5) . . . . ?
C7 C8 C11 C10 -67.8(5) . . . . ?
C9 C1 C2 C3 69.2(5) . . . . ?
C9 C1 C2 C12 176.7(4) . . . . ?
C9 C1 C2 C14 -59.9(5) . . . . ?
C9 C1 C10 C5 -86.3(4) . . . . ?
C9 C1 C10 C11 32.3(4) . . . . ?
C9 C8 C11 O7 174.3(4) . . . . ?
C9 C8 C11 C10 50.3(5) . . . . ?
C10 C1 C2 C3 -55.0(5) . . . . ?
C10 C1 C2 C12 52.6(5) . . . . ?
C10 C1 C2 C14 175.9(4) . . . . ?
C10 C1 C9 C8 -2.1(5) . . . . ?
C10 C5 C6 C7 -3.5(6) . . . . ?
C11 C8 C9 C1 -29.4(4) . . . . ?
C12 C2 C3 O3 -178.1(4) . . . . ?
C12 C2 C3 C4 -52.8(4) . . . . ?
C12 C2 C14 O1 101.8(7) . . . . ?
C12 C2 C14 O2 -77.0(6) . . . . ?
C13 C4 C5 O6 64.7(4) . . . . ?
C13 C4 C5 C6 -172.1(3) . . . . ?
C13 C4 C5 C10 -49.0(4) . . . . ?
C14 C2 C3 O3 62.6(5) . . . . ?
C14 C2 C3 C4 -172.1(4) . . . . ?
C14 C2 C12 C13 155.3(4) . . . . ?
C15 O2 C14 O1 -0.7(10) . . . . ?
C15 O2 C14 C2 178.1(6) . . . . ?
C16 S1 O3 C3 79.8(3) . . . . ?
C17 O7 C11 C8 168.7(5) . . . . ?
C17 O7 C11 C10 -76.9(6) . . . . ?
C18 Si1 O6 C5 -60.0(6) . . . . ?
C18 Si1 C20 C21 -89.9(11) . . . . ?
C18 Si1 C22 C23 -49.7(14) . . . . ?
C20 Si1 O6 C5 64.3(5) . . . . ?
C20 Si1 C18 C19 62.4(9) . . . . ?
C20 Si1 C22 C23 -174.6(13) . . . . ?
C22 Si1 O6 C5 178.1(5) . . . . ?
C22 Si1 C18 C19 -58.8(10) . . . . ?
C22 Si1 C20 C21 35.6(12) . . . . ?

_olex2_submission_special_instructions 'No special instructions were received'
_chemical_properties_physical    Heat-sensitive,Light-sensitive
