# Electronic Supplementary Material (ESI) for ChemComm.
# This journal is © The Royal Society of Chemistry 2018

####################################################################### 
# 
# 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_z
_database_code_depnum_ccdc_archive 'CCDC 1816097'
_audit_update_record             
;
2018-01-10 deposited with the CCDC.
2018-02-08 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
(2S,4S)-2-((tert-butyldiphenylsilyl)oxy)-2-phenyl-1-tosyl-4-vinylpyrrolidine
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C35 H39 N O3 S Si'
_chemical_formula_weight         581.82

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'
N N 0.0061 0.0033 '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'
S S 0.1246 0.1234 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_symmetry_cell_setting           Orthorhombic
_symmetry_space_group_name_H-M   P2(1)2(1)2(1)

loop_
_symmetry_equiv_pos_as_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                   8.4929(13)
_cell_length_b                   9.8371(16)
_cell_length_c                   39.949(6)
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_volume                     3337.6(9)
_cell_formula_units_Z            4
_cell_measurement_temperature    296(2)
_cell_measurement_reflns_used    3997
_cell_measurement_theta_min      2.45
_cell_measurement_theta_max      17.92

_exptl_crystal_description       block
_exptl_crystal_colour            colorless
_exptl_crystal_size_max          0.48
_exptl_crystal_size_mid          0.32
_exptl_crystal_size_min          0.26
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.158
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             1240
_exptl_absorpt_coefficient_mu    0.166
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.9245
_exptl_absorpt_correction_T_max  0.9581
_exptl_absorpt_process_details   sadabs

_exptl_special_details           
; 
 ? 
;

_diffrn_ambient_temperature      296(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device_type  'Bruker Apex II CCD'
_diffrn_measurement_method       ?
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            39213
_diffrn_reflns_av_R_equivalents  0.0976
_diffrn_reflns_av_sigmaI/netI    0.0667
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_k_min       -11
_diffrn_reflns_limit_k_max       11
_diffrn_reflns_limit_l_min       -47
_diffrn_reflns_limit_l_max       42
_diffrn_reflns_theta_min         2.04
_diffrn_reflns_theta_max         25.01
_reflns_number_total             5892
_reflns_number_gt                4014
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       ?
_computing_cell_refinement       ?
_computing_data_reduction        ?
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_computing_molecular_graphics    ?
_computing_publication_material  ?

_refine_special_details          
; 
 Refinement of F² against ALL reflections.  The weighted R-factor wR and 
 goodness of fit S are based on F², conventional R-factors R are based 
 on F, with F set to zero for negative F². The threshold expression of 
 F² > 2sigma(F²) is used only for calculating R-factors(gt) etc. and is 
 not relevant to the choice of reflections for refinement.  R-factors based 
 on F² are statistically about twice as large as those based on F, and R- 
 factors based on ALL data will be even larger. 
;

_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'calc w=1/[σ²(Fo²)+(0.0475P)²+0.2626P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_abs_structure_details 'Flack H D (1983), Acta Cryst. A39, 876-881'
_refine_ls_abs_structure_Flack   -0.02(9)
_chemical_absolute_configuration ad
_refine_ls_number_reflns         5892
_refine_ls_number_parameters     370
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0882
_refine_ls_R_factor_gt           0.0470
_refine_ls_wR_factor_ref         0.1086
_refine_ls_wR_factor_gt          0.0932
_refine_ls_goodness_of_fit_ref   1.014
_refine_ls_restrained_S_all      1.014
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Si1 Si 0.78211(10) 0.70192(9) 0.08534(2) 0.0438(2) Uani 1 1 d . . .
S1 S 0.91301(10) 0.88713(10) 0.18457(2) 0.0581(3) Uani 1 1 d . . .
O1 O 0.9682(3) 1.0193(3) 0.17469(6) 0.0747(8) Uani 1 1 d . . .
O2 O 1.0058(3) 0.7691(3) 0.17818(6) 0.0685(7) Uani 1 1 d . . .
O3 O 0.7723(2) 0.6907(2) 0.12616(5) 0.0467(5) Uani 1 1 d . . .
N1 N 0.7445(3) 0.8662(3) 0.16600(6) 0.0506(7) Uani 1 1 d . . .
C1 C 0.6273(4) 0.5892(3) 0.06649(8) 0.0520(8) Uani 1 1 d . . .
C2 C 0.5959(5) 0.5861(4) 0.03225(9) 0.0660(10) Uani 1 1 d . . .
H2A H 0.6491 0.6455 0.0181 0.079 Uiso 1 1 calc R . .
C3 C 0.4868(5) 0.4965(5) 0.01878(12) 0.0836(13) Uani 1 1 d . . .
H3A H 0.4660 0.4974 -0.0041 0.100 Uiso 1 1 calc R . .
C4 C 0.4104(5) 0.4071(4) 0.03917(14) 0.0843(13) Uani 1 1 d . . .
H4A H 0.3384 0.3462 0.0301 0.101 Uiso 1 1 calc R . .
C5 C 0.4384(4) 0.4061(4) 0.07266(12) 0.0761(11) Uani 1 1 d . . .
H5A H 0.3850 0.3453 0.0864 0.091 Uiso 1 1 calc R . .
C6 C 0.5466(4) 0.4956(3) 0.08625(9) 0.0567(9) Uani 1 1 d . . .
H6A H 0.5658 0.4933 0.1092 0.068 Uiso 1 1 calc R . .
C7 C 0.7589(4) 0.8821(3) 0.07152(7) 0.0491(8) Uani 1 1 d . . .
C8 C 0.8585(4) 0.9805(3) 0.08485(9) 0.0617(9) Uani 1 1 d . . .
H8A H 0.9367 0.9542 0.0998 0.074 Uiso 1 1 calc R . .
C9 C 0.8444(5) 1.1162(4) 0.07651(10) 0.0766(11) Uani 1 1 d . . .
H9A H 0.9113 1.1801 0.0861 0.092 Uiso 1 1 calc R . .
C10 C 0.7328(5) 1.1563(4) 0.05421(10) 0.0746(11) Uani 1 1 d . . .
H10A H 0.7252 1.2474 0.0482 0.089 Uiso 1 1 calc R . .
C11 C 0.6316(5) 1.0632(4) 0.04067(9) 0.0719(11) Uani 1 1 d . . .
H11A H 0.5544 1.0912 0.0257 0.086 Uiso 1 1 calc R . .
C12 C 0.6440(4) 0.9269(3) 0.04928(8) 0.0588(9) Uani 1 1 d . . .
H12A H 0.5743 0.8645 0.0400 0.071 Uiso 1 1 calc R . .
C13 C 0.6799(4) 0.6225(4) 0.17967(8) 0.0551(9) Uani 1 1 d . . .
C14 C 0.7607(5) 0.5035(4) 0.17495(10) 0.0803(12) Uani 1 1 d . . .
H14A H 0.8175 0.4906 0.1553 0.096 Uiso 1 1 calc R . .
C15 C 0.7590(6) 0.4026(5) 0.19892(14) 0.1163(18) Uani 1 1 d . . .
H15A H 0.8150 0.3226 0.1954 0.140 Uiso 1 1 calc R . .
C16 C 0.6761(7) 0.4198(7) 0.22751(16) 0.132(2) Uani 1 1 d . . .
H16A H 0.6753 0.3516 0.2436 0.158 Uiso 1 1 calc R . .
C17 C 0.5946(6) 0.5356(7) 0.23275(12) 0.1084(18) Uani 1 1 d . . .
H17A H 0.5374 0.5465 0.2524 0.130 Uiso 1 1 calc R . .
C18 C 0.5956(5) 0.6394(5) 0.20881(9) 0.0803(12) Uani 1 1 d . . .
H18A H 0.5397 0.7192 0.2126 0.096 Uiso 1 1 calc R . .
C19 C 0.8746(3) 0.8969(4) 0.22772(8) 0.0502(8) Uani 1 1 d . . .
C20 C 0.8742(4) 0.7812(4) 0.24729(9) 0.0640(10) Uani 1 1 d . . .
H20A H 0.8975 0.6971 0.2379 0.077 Uiso 1 1 calc R . .
C21 C 0.8392(5) 0.7912(5) 0.28087(9) 0.0746(11) Uani 1 1 d . . .
H21A H 0.8410 0.7130 0.2940 0.090 Uiso 1 1 calc R . .
C22 C 0.8015(4) 0.9133(4) 0.29565(9) 0.0656(10) Uani 1 1 d . . .
C23 C 0.8065(4) 1.0281(4) 0.27607(10) 0.0662(10) Uani 1 1 d . . .
H23A H 0.7868 1.1124 0.2857 0.079 Uiso 1 1 calc R . .
C24 C 0.8404(4) 1.0206(4) 0.24218(9) 0.0606(10) Uani 1 1 d . . .
H24A H 0.8401 1.0991 0.2292 0.073 Uiso 1 1 calc R . .
C25 C 0.9823(4) 0.6323(3) 0.07416(7) 0.0488(8) Uani 1 1 d . . .
C26 C 1.1133(4) 0.7033(4) 0.09278(10) 0.0858(13) Uani 1 1 d . . .
H26A H 1.2126 0.6645 0.0864 0.129 Uiso 1 1 calc R . .
H26B H 1.0981 0.6922 0.1164 0.129 Uiso 1 1 calc R . .
H26C H 1.1125 0.7983 0.0873 0.129 Uiso 1 1 calc R . .
C27 C 0.9877(5) 0.4816(3) 0.08314(10) 0.0816(13) Uani 1 1 d . . .
H27A H 1.0893 0.4453 0.0776 0.122 Uiso 1 1 calc R . .
H27B H 0.9079 0.4339 0.0708 0.122 Uiso 1 1 calc R . .
H27C H 0.9692 0.4708 0.1067 0.122 Uiso 1 1 calc R . .
C28 C 1.0103(5) 0.6466(5) 0.03669(9) 0.0981(16) Uani 1 1 d . . .
H28A H 1.1121 0.6107 0.0312 0.147 Uiso 1 1 calc R . .
H28B H 1.0056 0.7408 0.0306 0.147 Uiso 1 1 calc R . .
H28C H 0.9307 0.5971 0.0247 0.147 Uiso 1 1 calc R . .
C29 C 0.6797(3) 0.7359(3) 0.15335(8) 0.0459(8) Uani 1 1 d . . .
C30 C 0.5118(4) 0.7781(3) 0.14299(8) 0.0535(9) Uani 1 1 d . . .
H30A H 0.4830 0.7349 0.1220 0.064 Uiso 1 1 calc R . .
H30B H 0.4367 0.7510 0.1600 0.064 Uiso 1 1 calc R . .
C31 C 0.5118(4) 0.9326(3) 0.13901(8) 0.0527(9) Uani 1 1 d . . .
H31A H 0.5540 0.9554 0.1169 0.063 Uiso 1 1 calc R . .
C32 C 0.6297(4) 0.9769(4) 0.16553(9) 0.0610(9) Uani 1 1 d . . .
H32A H 0.6792 1.0623 0.1595 0.073 Uiso 1 1 calc R . .
H32B H 0.5793 0.9870 0.1872 0.073 Uiso 1 1 calc R . .
C33 C 0.3531(4) 0.9945(4) 0.14250(10) 0.0662(10) Uani 1 1 d . . .
H33A H 0.2994 0.9795 0.1625 0.079 Uiso 1 1 calc R . .
C34 C 0.2836(5) 1.0675(4) 0.11998(12) 0.0961(14) Uani 1 1 d . . .
H34A H 0.3334 1.0847 0.0997 0.115 Uiso 1 1 calc R . .
H34B H 0.1839 1.1027 0.1241 0.115 Uiso 1 1 calc R . .
C35 C 0.7602(6) 0.9227(5) 0.33182(9) 0.1126(17) Uani 1 1 d . . .
H35A H 0.7384 1.0157 0.3375 0.169 Uiso 1 1 calc R . .
H35B H 0.8468 0.8904 0.3451 0.169 Uiso 1 1 calc R . .
H35C H 0.6688 0.8681 0.3362 0.169 Uiso 1 1 calc R . .


_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 O3 1.637(2) . ?
Si1 C7 1.867(3) . ?
Si1 C1 1.877(3) . ?
Si1 C25 1.886(3) . ?
S1 O2 1.426(2) . ?
S1 O1 1.437(3) . ?
S1 N1 1.625(3) . ?
S1 C19 1.757(3) . ?
O3 C29 1.413(3) . ?
N1 C32 1.462(4) . ?
N1 C29 1.484(4) . ?
C1 C6 1.393(4) . ?
C1 C2 1.394(4) . ?
C2 C3 1.387(5) . ?
C2 H2A 0.9300 . ?
C3 C4 1.363(6) . ?
C3 H3A 0.9300 . ?
C4 C5 1.359(5) . ?
C4 H4A 0.9300 . ?
C5 C6 1.384(5) . ?
C5 H5A 0.9300 . ?
C6 H6A 0.9300 . ?
C7 C12 1.391(4) . ?
C7 C8 1.392(4) . ?
C8 C9 1.381(5) . ?
C8 H8A 0.9300 . ?
C9 C10 1.359(5) . ?
C9 H9A 0.9300 . ?
C10 C11 1.367(5) . ?
C10 H10A 0.9300 . ?
C11 C12 1.388(5) . ?
C11 H11A 0.9300 . ?
C12 H12A 0.9300 . ?
C13 C14 1.370(5) . ?
C13 C18 1.377(5) . ?
C13 C29 1.532(4) . ?
C14 C15 1.380(5) . ?
C14 H14A 0.9300 . ?
C15 C16 1.352(7) . ?
C15 H15A 0.9300 . ?
C16 C17 1.349(7) . ?
C16 H16A 0.9300 . ?
C17 C18 1.399(6) . ?
C17 H17A 0.9300 . ?
C18 H18A 0.9300 . ?
C19 C24 1.377(4) . ?
C19 C20 1.381(5) . ?
C20 C21 1.378(4) . ?
C20 H20A 0.9300 . ?
C21 C22 1.376(5) . ?
C21 H21A 0.9300 . ?
C22 C23 1.375(5) . ?
C22 C35 1.490(5) . ?
C23 C24 1.386(5) . ?
C23 H23A 0.9300 . ?
C24 H24A 0.9300 . ?
C25 C26 1.510(5) . ?
C25 C28 1.522(4) . ?
C25 C27 1.525(4) . ?
C26 H26A 0.9600 . ?
C26 H26B 0.9600 . ?
C26 H26C 0.9600 . ?
C27 H27A 0.9600 . ?
C27 H27B 0.9600 . ?
C27 H27C 0.9600 . ?
C28 H28A 0.9600 . ?
C28 H28B 0.9600 . ?
C28 H28C 0.9600 . ?
C29 C30 1.542(4) . ?
C30 C31 1.527(4) . ?
C30 H30A 0.9700 . ?
C30 H30B 0.9700 . ?
C31 C33 1.486(5) . ?
C31 C32 1.521(4) . ?
C31 H31A 0.9800 . ?
C32 H32A 0.9700 . ?
C32 H32B 0.9700 . ?
C33 C34 1.294(5) . ?
C33 H33A 0.9300 . ?
C34 H34A 0.9300 . ?
C34 H34B 0.9300 . ?
C35 H35A 0.9600 . ?
C35 H35B 0.9600 . ?
C35 H35C 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 Si1 C7 110.68(12) . . ?
O3 Si1 C1 108.93(13) . . ?
C7 Si1 C1 111.60(15) . . ?
O3 Si1 C25 104.89(12) . . ?
C7 Si1 C25 111.71(14) . . ?
C1 Si1 C25 108.76(14) . . ?
O2 S1 O1 120.48(15) . . ?
O2 S1 N1 107.54(14) . . ?
O1 S1 N1 106.05(15) . . ?
O2 S1 C19 108.84(15) . . ?
O1 S1 C19 106.27(16) . . ?
N1 S1 C19 106.95(14) . . ?
C29 O3 Si1 140.64(19) . . ?
C32 N1 C29 113.1(2) . . ?
C32 N1 S1 119.9(2) . . ?
C29 N1 S1 126.3(2) . . ?
C6 C1 C2 116.6(3) . . ?
C6 C1 Si1 120.5(3) . . ?
C2 C1 Si1 122.7(3) . . ?
C3 C2 C1 121.5(4) . . ?
C3 C2 H2A 119.3 . . ?
C1 C2 H2A 119.3 . . ?
C4 C3 C2 119.7(4) . . ?
C4 C3 H3A 120.1 . . ?
C2 C3 H3A 120.1 . . ?
C5 C4 C3 120.6(4) . . ?
C5 C4 H4A 119.7 . . ?
C3 C4 H4A 119.7 . . ?
C4 C5 C6 119.9(4) . . ?
C4 C5 H5A 120.1 . . ?
C6 C5 H5A 120.1 . . ?
C5 C6 C1 121.7(4) . . ?
C5 C6 H6A 119.2 . . ?
C1 C6 H6A 119.2 . . ?
C12 C7 C8 116.7(3) . . ?
C12 C7 Si1 124.3(3) . . ?
C8 C7 Si1 118.9(2) . . ?
C9 C8 C7 121.8(3) . . ?
C9 C8 H8A 119.1 . . ?
C7 C8 H8A 119.1 . . ?
C10 C9 C8 119.9(4) . . ?
C10 C9 H9A 120.0 . . ?
C8 C9 H9A 120.0 . . ?
C9 C10 C11 120.2(3) . . ?
C9 C10 H10A 119.9 . . ?
C11 C10 H10A 119.9 . . ?
C10 C11 C12 120.1(4) . . ?
C10 C11 H11A 120.0 . . ?
C12 C11 H11A 120.0 . . ?
C11 C12 C7 121.2(3) . . ?
C11 C12 H12A 119.4 . . ?
C7 C12 H12A 119.4 . . ?
C14 C13 C18 118.6(3) . . ?
C14 C13 C29 121.9(3) . . ?
C18 C13 C29 119.5(3) . . ?
C13 C14 C15 121.0(4) . . ?
C13 C14 H14A 119.5 . . ?
C15 C14 H14A 119.5 . . ?
C16 C15 C14 120.1(5) . . ?
C16 C15 H15A 119.9 . . ?
C14 C15 H15A 119.9 . . ?
C15 C16 C17 120.2(5) . . ?
C15 C16 H16A 119.9 . . ?
C17 C16 H16A 119.9 . . ?
C16 C17 C18 120.5(5) . . ?
C16 C17 H17A 119.8 . . ?
C18 C17 H17A 119.8 . . ?
C13 C18 C17 119.6(4) . . ?
C13 C18 H18A 120.2 . . ?
C17 C18 H18A 120.2 . . ?
C24 C19 C20 119.4(3) . . ?
C24 C19 S1 119.9(3) . . ?
C20 C19 S1 120.7(3) . . ?
C21 C20 C19 119.5(3) . . ?
C21 C20 H20A 120.2 . . ?
C19 C20 H20A 120.2 . . ?
C20 C21 C22 122.0(4) . . ?
C20 C21 H21A 119.0 . . ?
C22 C21 H21A 119.0 . . ?
C21 C22 C23 117.8(3) . . ?
C21 C22 C35 121.7(4) . . ?
C23 C22 C35 120.6(4) . . ?
C22 C23 C24 121.2(4) . . ?
C22 C23 H23A 119.4 . . ?
C24 C23 H23A 119.4 . . ?
C19 C24 C23 120.0(3) . . ?
C19 C24 H24A 120.0 . . ?
C23 C24 H24A 120.0 . . ?
C26 C25 C28 109.1(3) . . ?
C26 C25 C27 108.2(3) . . ?
C28 C25 C27 108.4(3) . . ?
C26 C25 Si1 112.3(2) . . ?
C28 C25 Si1 109.9(2) . . ?
C27 C25 Si1 108.9(2) . . ?
C25 C26 H26A 109.5 . . ?
C25 C26 H26B 109.5 . . ?
H26A C26 H26B 109.5 . . ?
C25 C26 H26C 109.5 . . ?
H26A C26 H26C 109.5 . . ?
H26B C26 H26C 109.5 . . ?
C25 C27 H27A 109.5 . . ?
C25 C27 H27B 109.5 . . ?
H27A C27 H27B 109.5 . . ?
C25 C27 H27C 109.5 . . ?
H27A C27 H27C 109.5 . . ?
H27B C27 H27C 109.5 . . ?
C25 C28 H28A 109.5 . . ?
C25 C28 H28B 109.5 . . ?
H28A C28 H28B 109.5 . . ?
C25 C28 H28C 109.5 . . ?
H28A C28 H28C 109.5 . . ?
H28B C28 H28C 109.5 . . ?
O3 C29 N1 109.1(2) . . ?
O3 C29 C13 107.3(2) . . ?
N1 C29 C13 113.2(2) . . ?
O3 C29 C30 113.2(2) . . ?
N1 C29 C30 101.6(2) . . ?
C13 C29 C30 112.4(3) . . ?
C31 C30 C29 107.2(3) . . ?
C31 C30 H30A 110.3 . . ?
C29 C30 H30A 110.3 . . ?
C31 C30 H30B 110.3 . . ?
C29 C30 H30B 110.3 . . ?
H30A C30 H30B 108.5 . . ?
C33 C31 C32 114.5(3) . . ?
C33 C31 C30 113.4(3) . . ?
C32 C31 C30 102.3(3) . . ?
C33 C31 H31A 108.8 . . ?
C32 C31 H31A 108.8 . . ?
C30 C31 H31A 108.8 . . ?
N1 C32 C31 103.5(2) . . ?
N1 C32 H32A 111.1 . . ?
C31 C32 H32A 111.1 . . ?
N1 C32 H32B 111.1 . . ?
C31 C32 H32B 111.1 . . ?
H32A C32 H32B 109.0 . . ?
C34 C33 C31 125.2(4) . . ?
C34 C33 H33A 117.4 . . ?
C31 C33 H33A 117.4 . . ?
C33 C34 H34A 120.0 . . ?
C33 C34 H34B 120.0 . . ?
H34A C34 H34B 120.0 . . ?
C22 C35 H35A 109.5 . . ?
C22 C35 H35B 109.5 . . ?
H35A C35 H35B 109.5 . . ?
C22 C35 H35C 109.5 . . ?
H35A C35 H35C 109.5 . . ?
H35B C35 H35C 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
C7 Si1 O3 C29 47.2(3) . . . . ?
C1 Si1 O3 C29 -75.8(3) . . . . ?
C25 Si1 O3 C29 167.9(3) . . . . ?
O2 S1 N1 C32 -174.3(2) . . . . ?
O1 S1 N1 C32 -44.1(3) . . . . ?
C19 S1 N1 C32 69.0(3) . . . . ?
O2 S1 N1 C29 16.3(3) . . . . ?
O1 S1 N1 C29 146.4(3) . . . . ?
C19 S1 N1 C29 -100.5(3) . . . . ?
O3 Si1 C1 C6 -11.4(3) . . . . ?
C7 Si1 C1 C6 -134.0(3) . . . . ?
C25 Si1 C1 C6 102.4(3) . . . . ?
O3 Si1 C1 C2 173.8(3) . . . . ?
C7 Si1 C1 C2 51.3(3) . . . . ?
C25 Si1 C1 C2 -72.4(3) . . . . ?
C6 C1 C2 C3 1.5(5) . . . . ?
Si1 C1 C2 C3 176.4(3) . . . . ?
C1 C2 C3 C4 -1.3(6) . . . . ?
C2 C3 C4 C5 0.8(6) . . . . ?
C3 C4 C5 C6 -0.6(6) . . . . ?
C4 C5 C6 C1 0.8(5) . . . . ?
C2 C1 C6 C5 -1.2(5) . . . . ?
Si1 C1 C6 C5 -176.3(3) . . . . ?
O3 Si1 C7 C12 -123.2(3) . . . . ?
C1 Si1 C7 C12 -1.7(3) . . . . ?
C25 Si1 C7 C12 120.3(3) . . . . ?
O3 Si1 C7 C8 54.6(3) . . . . ?
C1 Si1 C7 C8 176.1(2) . . . . ?
C25 Si1 C7 C8 -61.9(3) . . . . ?
C12 C7 C8 C9 0.0(5) . . . . ?
Si1 C7 C8 C9 -177.9(3) . . . . ?
C7 C8 C9 C10 -1.3(6) . . . . ?
C8 C9 C10 C11 1.7(6) . . . . ?
C9 C10 C11 C12 -0.9(6) . . . . ?
C10 C11 C12 C7 -0.3(6) . . . . ?
C8 C7 C12 C11 0.8(5) . . . . ?
Si1 C7 C12 C11 178.6(3) . . . . ?
C18 C13 C14 C15 -0.5(6) . . . . ?
C29 C13 C14 C15 -179.8(4) . . . . ?
C13 C14 C15 C16 0.4(7) . . . . ?
C14 C15 C16 C17 0.0(8) . . . . ?
C15 C16 C17 C18 -0.4(9) . . . . ?
C14 C13 C18 C17 0.1(6) . . . . ?
C29 C13 C18 C17 179.5(4) . . . . ?
C16 C17 C18 C13 0.3(7) . . . . ?
O2 S1 C19 C24 156.0(3) . . . . ?
O1 S1 C19 C24 24.9(3) . . . . ?
N1 S1 C19 C24 -88.1(3) . . . . ?
O2 S1 C19 C20 -25.7(3) . . . . ?
O1 S1 C19 C20 -156.8(3) . . . . ?
N1 S1 C19 C20 90.2(3) . . . . ?
C24 C19 C20 C21 0.2(5) . . . . ?
S1 C19 C20 C21 -178.1(3) . . . . ?
C19 C20 C21 C22 1.1(6) . . . . ?
C20 C21 C22 C23 -2.9(6) . . . . ?
C20 C21 C22 C35 178.6(4) . . . . ?
C21 C22 C23 C24 3.3(6) . . . . ?
C35 C22 C23 C24 -178.2(4) . . . . ?
C20 C19 C24 C23 0.2(5) . . . . ?
S1 C19 C24 C23 178.5(3) . . . . ?
C22 C23 C24 C19 -2.0(5) . . . . ?
O3 Si1 C25 C26 -54.4(3) . . . . ?
C7 Si1 C25 C26 65.5(3) . . . . ?
C1 Si1 C25 C26 -170.9(3) . . . . ?
O3 Si1 C25 C28 -176.0(3) . . . . ?
C7 Si1 C25 C28 -56.1(3) . . . . ?
C1 Si1 C25 C28 67.6(3) . . . . ?
O3 Si1 C25 C27 65.3(3) . . . . ?
C7 Si1 C25 C27 -174.7(2) . . . . ?
C1 Si1 C25 C27 -51.1(3) . . . . ?
Si1 O3 C29 N1 -90.9(3) . . . . ?
Si1 O3 C29 C13 146.0(2) . . . . ?
Si1 O3 C29 C30 21.4(4) . . . . ?
C32 N1 C29 O3 122.5(3) . . . . ?
S1 N1 C29 O3 -67.4(3) . . . . ?
C32 N1 C29 C13 -118.0(3) . . . . ?
S1 N1 C29 C13 52.1(4) . . . . ?
C32 N1 C29 C30 2.8(3) . . . . ?
S1 N1 C29 C30 172.9(2) . . . . ?
C14 C13 C29 O3 0.4(4) . . . . ?
C18 C13 C29 O3 -179.0(3) . . . . ?
C14 C13 C29 N1 -120.1(3) . . . . ?
C18 C13 C29 N1 60.6(4) . . . . ?
C14 C13 C29 C30 125.4(3) . . . . ?
C18 C13 C29 C30 -53.9(4) . . . . ?
O3 C29 C30 C31 -97.6(3) . . . . ?
N1 C29 C30 C31 19.2(3) . . . . ?
C13 C29 C30 C31 140.6(3) . . . . ?
C29 C30 C31 C33 -157.0(3) . . . . ?
C29 C30 C31 C32 -33.2(3) . . . . ?
C29 N1 C32 C31 -23.4(4) . . . . ?
S1 N1 C32 C31 165.8(2) . . . . ?
C33 C31 C32 N1 156.6(3) . . . . ?
C30 C31 C32 N1 33.5(3) . . . . ?
C32 C31 C33 C34 121.3(4) . . . . ?
C30 C31 C33 C34 -121.8(4) . . . . ?

_diffrn_measured_fraction_theta_max 0.999
_diffrn_reflns_theta_full        25.01
_diffrn_measured_fraction_theta_full 0.999
_refine_diff_density_max         0.235
_refine_diff_density_min         -0.284
_refine_diff_density_rms         0.064
