# Electronic Supplementary Material (ESI) for Organic & Biomolecular Chemistry.
# This journal is © The Royal Society of Chemistry 2016

####################################################################### 
# 
# 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_xray3660_0ma
_database_code_depnum_ccdc_archive 'CCDC 1039073'
_audit_update_record             
;
2016-02-20 deposited with the CCDC.
2016-04-05 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
; 
 ? 
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C23 H30 Cl N O2 S Si2'
_chemical_formula_weight         476.17

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'
Cl Cl 0.1484 0.1585 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_symmetry_cell_setting           ?
_symmetry_space_group_name_H-M   ?

loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   11.592(2)
_cell_length_b                   11.7363(13)
_cell_length_c                   11.7880(13)
_cell_angle_alpha                118.7280(10)
_cell_angle_beta                 104.041(2)
_cell_angle_gamma                100.602(2)
_cell_volume                     1276.3(3)
_cell_formula_units_Z            2
_cell_measurement_temperature    296(2)
_cell_measurement_reflns_used    ?
_cell_measurement_theta_min      ?
_cell_measurement_theta_max      ?

_exptl_crystal_description       ?
_exptl_crystal_colour            ?
_exptl_crystal_size_max          0.40
_exptl_crystal_size_mid          0.40
_exptl_crystal_size_min          0.20
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.239
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             504
_exptl_absorpt_coefficient_mu    0.344
_exptl_absorpt_correction_type   ?
_exptl_absorpt_correction_T_min  0.8745
_exptl_absorpt_correction_T_max  0.9343
_exptl_absorpt_process_details   ?

_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  ?
_diffrn_measurement_method       ?
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            14633
_diffrn_reflns_av_R_equivalents  0.0471
_diffrn_reflns_av_sigmaI/netI    0.0366
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_l_min       -15
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_theta_min         1.94
_diffrn_reflns_theta_max         27.51
_reflns_number_total             5746
_reflns_number_gt                5104
_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)+(0.1000P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    mixed
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_number_reflns         5746
_refine_ls_number_parameters     278
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0346
_refine_ls_R_factor_gt           0.0284
_refine_ls_wR_factor_ref         0.1314
_refine_ls_wR_factor_gt          0.1189
_refine_ls_goodness_of_fit_ref   1.072
_refine_ls_restrained_S_all      1.072
_refine_ls_shift/su_max          0.063
_refine_ls_shift/su_mean         0.003

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
Cl1 Cl -0.21757(3) 0.22292(3) 0.35973(3) 0.02246(12) Uani 1 1 d . . .
S1 S -0.13237(3) 0.81990(3) 0.68741(4) 0.01897(12) Uani 1 1 d . . .
Si1 Si 0.33782(4) 0.80621(4) 1.25406(4) 0.02288(13) Uani 1 1 d . . .
Si2 Si 0.17533(4) 0.30367(4) 0.80317(4) 0.01917(12) Uani 1 1 d . . .
O1 O -0.19173(10) 0.78611(11) 0.54802(11) 0.0251(2) Uani 1 1 d . . .
O2 O -0.02870(10) 0.94750(10) 0.79233(11) 0.0252(2) Uani 1 1 d . . .
N1 N -0.07935(11) 0.69655(12) 0.67151(12) 0.0180(2) Uani 1 1 d . . .
C1 C 0.23966(18) 0.89981(18) 1.33569(19) 0.0358(4) Uani 1 1 d . . .
H1A H 0.2181 0.9523 1.2970 0.054 Uiso 1 1 calc R . .
H1B H 0.2865 0.9616 1.4350 0.054 Uiso 1 1 calc R . .
H1C H 0.1633 0.8342 1.3175 0.054 Uiso 1 1 calc R . .
C2 C 0.48587(18) 0.9297(2) 1.28560(19) 0.0503(6) Uani 1 1 d . . .
H2A H 0.5372 0.8794 1.2457 0.076 Uiso 1 1 calc R . .
H2B H 0.5323 0.9947 1.3846 0.076 Uiso 1 1 calc R . .
H2C H 0.4648 0.9790 1.2428 0.076 Uiso 1 1 calc R . .
C3 C 0.3736(2) 0.6942(2) 1.31759(19) 0.0471(5) Uani 1 1 d . . .
H3A H 0.2955 0.6286 1.2961 0.071 Uiso 1 1 calc R . .
H3B H 0.4204 0.7509 1.4171 0.071 Uiso 1 1 calc R . .
H3C H 0.4233 0.6454 1.2724 0.071 Uiso 1 1 calc R . .
C4 C 0.24252(14) 0.69229(14) 1.06403(15) 0.0208(3) Uani 1 1 d . . .
C5 C 0.17186(13) 0.61240(14) 0.94291(14) 0.0175(3) Uani 1 1 d . . .
C6 C 0.08401(12) 0.51657(13) 0.79983(13) 0.0159(3) Uani 1 1 d . . .
C7 C 0.07243(13) 0.37508(14) 0.72372(14) 0.0169(3) Uani 1 1 d . . .
C8 C 0.14340(19) 0.32652(17) 0.95899(16) 0.0328(4) Uani 1 1 d . . .
H8A H 0.2071 0.3101 1.0123 0.049 Uiso 1 1 calc R . .
H8B H 0.0611 0.2617 0.9286 0.049 Uiso 1 1 calc R . .
H8C H 0.1455 0.4195 1.0163 0.049 Uiso 1 1 calc R . .
C9 C 0.34442(15) 0.39573(17) 0.8480(2) 0.0351(4) Uani 1 1 d . . .
H9A H 0.3977 0.3600 0.8878 0.053 Uiso 1 1 calc R . .
H9B H 0.3670 0.4933 0.9146 0.053 Uiso 1 1 calc R . .
H9C H 0.3558 0.3814 0.7647 0.053 Uiso 1 1 calc R . .
C10 C 0.13448(15) 0.11539(14) 0.67367(16) 0.0234(3) Uani 1 1 d . . .
H10A H 0.1479 0.1025 0.5917 0.035 Uiso 1 1 calc R . .
H10B H 0.0469 0.0664 0.6482 0.035 Uiso 1 1 calc R . .
H10C H 0.1875 0.0800 0.7143 0.035 Uiso 1 1 calc R . .
C11 C -0.01987(13) 0.28757(14) 0.58673(14) 0.0178(3) Uani 1 1 d . . .
H11 H -0.0283 0.1946 0.5346 0.021 Uiso 1 1 calc R . .
C12 C -0.09900(13) 0.33658(14) 0.52708(14) 0.0170(3) Uani 1 1 d . . .
C13 C -0.08481(13) 0.47550(14) 0.60050(14) 0.0165(3) Uani 1 1 d . . .
C14 C -0.15732(13) 0.55114(14) 0.55788(14) 0.0192(3) Uani 1 1 d . . .
H14A H -0.1610 0.5327 0.4673 0.023 Uiso 1 1 calc R . .
H14B H -0.2430 0.5270 0.5554 0.023 Uiso 1 1 calc R . .
C15 C 0.00410(13) 0.70944(14) 0.79755(14) 0.0182(3) Uani 1 1 d . . .
H15A H -0.0319 0.7342 0.8686 0.022 Uiso 1 1 calc R . .
H15B H 0.0885 0.7771 0.8373 0.022 Uiso 1 1 calc R . .
C16 C 0.00609(12) 0.56411(13) 0.73577(14) 0.0159(3) Uani 1 1 d . . .
C17 C -0.25251(13) 0.81161(14) 0.75381(14) 0.0187(3) Uani 1 1 d . . .
C18 C -0.37696(15) 0.72454(16) 0.66092(16) 0.0261(3) Uani 1 1 d . . .
H18 H -0.3972 0.6731 0.5648 0.031 Uiso 1 1 calc R . .
C19 C -0.47024(15) 0.71597(17) 0.71432(17) 0.0304(4) Uani 1 1 d . . .
H19 H -0.5534 0.6574 0.6529 0.036 Uiso 1 1 calc R . .
C20 C -0.44190(15) 0.79332(17) 0.85801(17) 0.0279(3) Uani 1 1 d . . .
C21 C -0.31708(16) 0.88003(17) 0.94793(16) 0.0268(3) Uani 1 1 d . . .
H21 H -0.2970 0.9327 1.0440 0.032 Uiso 1 1 calc R . .
C22 C -0.22183(14) 0.88983(15) 0.89759(15) 0.0226(3) Uani 1 1 d . . .
H22 H -0.1386 0.9479 0.9591 0.027 Uiso 1 1 calc R . .
C23 C -0.54466(18) 0.7821(2) 0.9140(2) 0.0409(4) Uani 1 1 d . . .
H23A H -0.6227 0.7119 0.8381 0.061 Uiso 1 1 calc R . .
H23B H -0.5566 0.8697 0.9589 0.061 Uiso 1 1 calc R . .
H23C H -0.5200 0.7574 0.9806 0.061 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
Cl1 C12 1.7437(14) . ?
S1 O2 1.4327(11) . ?
S1 O1 1.4337(11) . ?
S1 N1 1.6220(12) . ?
S1 C17 1.7646(14) . ?
Si1 C1 1.8445(16) . ?
Si1 C4 1.8446(15) . ?
Si1 C2 1.855(2) . ?
Si1 C3 1.859(2) . ?
Si2 C9 1.8595(17) . ?
Si2 C10 1.8599(15) . ?
Si2 C8 1.8643(16) . ?
Si2 C7 1.8929(14) . ?
N1 C14 1.4735(17) . ?
N1 C15 1.4829(17) . ?
C1 H1A 0.9600 . ?
C1 H1B 0.9600 . ?
C1 H1C 0.9600 . ?
C2 H2A 0.9600 . ?
C2 H2B 0.9600 . ?
C2 H2C 0.9600 . ?
C3 H3A 0.9600 . ?
C3 H3B 0.9600 . ?
C3 H3C 0.9600 . ?
C4 C5 1.205(2) . ?
C5 C6 1.4381(19) . ?
C6 C16 1.3989(18) . ?
C6 C7 1.4169(18) . ?
C7 C11 1.4036(19) . ?
C8 H8A 0.9600 . ?
C8 H8B 0.9600 . ?
C8 H8C 0.9600 . ?
C9 H9A 0.9600 . ?
C9 H9B 0.9600 . ?
C9 H9C 0.9600 . ?
C10 H10A 0.9600 . ?
C10 H10B 0.9600 . ?
C10 H10C 0.9600 . ?
C11 C12 1.3917(19) . ?
C11 H11 0.9300 . ?
C12 C13 1.3821(19) . ?
C13 C16 1.3863(18) . ?
C13 C14 1.4984(18) . ?
C14 H14A 0.9700 . ?
C14 H14B 0.9700 . ?
C15 C16 1.5062(18) . ?
C15 H15A 0.9700 . ?
C15 H15B 0.9700 . ?
C17 C22 1.3905(19) . ?
C17 C18 1.393(2) . ?
C18 C19 1.388(2) . ?
C18 H18 0.9300 . ?
C19 C20 1.394(2) . ?
C19 H19 0.9300 . ?
C20 C21 1.389(2) . ?
C20 C23 1.510(2) . ?
C21 C22 1.386(2) . ?
C21 H21 0.9300 . ?
C22 H22 0.9300 . ?
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
O2 S1 O1 121.45(7) . . ?
O2 S1 N1 106.11(6) . . ?
O1 S1 N1 106.09(6) . . ?
O2 S1 C17 107.54(7) . . ?
O1 S1 C17 107.37(7) . . ?
N1 S1 C17 107.61(6) . . ?
C1 Si1 C4 106.80(8) . . ?
C1 Si1 C2 110.73(10) . . ?
C4 Si1 C2 109.07(8) . . ?
C1 Si1 C3 111.04(9) . . ?
C4 Si1 C3 107.85(8) . . ?
C2 Si1 C3 111.20(11) . . ?
C9 Si2 C10 108.38(7) . . ?
C9 Si2 C8 112.68(9) . . ?
C10 Si2 C8 108.97(7) . . ?
C9 Si2 C7 108.57(7) . . ?
C10 Si2 C7 109.90(7) . . ?
C8 Si2 C7 108.33(7) . . ?
C14 N1 C15 112.54(10) . . ?
C14 N1 S1 119.90(9) . . ?
C15 N1 S1 120.13(9) . . ?
Si1 C1 H1A 109.5 . . ?
Si1 C1 H1B 109.5 . . ?
H1A C1 H1B 109.5 . . ?
Si1 C1 H1C 109.5 . . ?
H1A C1 H1C 109.5 . . ?
H1B C1 H1C 109.5 . . ?
Si1 C2 H2A 109.5 . . ?
Si1 C2 H2B 109.5 . . ?
H2A C2 H2B 109.5 . . ?
Si1 C2 H2C 109.5 . . ?
H2A C2 H2C 109.5 . . ?
H2B C2 H2C 109.5 . . ?
Si1 C3 H3A 109.5 . . ?
Si1 C3 H3B 109.5 . . ?
H3A C3 H3B 109.5 . . ?
Si1 C3 H3C 109.5 . . ?
H3A C3 H3C 109.5 . . ?
H3B C3 H3C 109.5 . . ?
C5 C4 Si1 173.90(13) . . ?
C4 C5 C6 178.07(15) . . ?
C16 C6 C7 119.40(12) . . ?
C16 C6 C5 118.87(12) . . ?
C7 C6 C5 121.71(12) . . ?
C11 C7 C6 117.83(12) . . ?
C11 C7 Si2 120.42(10) . . ?
C6 C7 Si2 121.74(10) . . ?
Si2 C8 H8A 109.5 . . ?
Si2 C8 H8B 109.5 . . ?
H8A C8 H8B 109.5 . . ?
Si2 C8 H8C 109.5 . . ?
H8A C8 H8C 109.5 . . ?
H8B C8 H8C 109.5 . . ?
Si2 C9 H9A 109.5 . . ?
Si2 C9 H9B 109.5 . . ?
H9A C9 H9B 109.5 . . ?
Si2 C9 H9C 109.5 . . ?
H9A C9 H9C 109.5 . . ?
H9B C9 H9C 109.5 . . ?
Si2 C10 H10A 109.5 . . ?
Si2 C10 H10B 109.5 . . ?
H10A C10 H10B 109.5 . . ?
Si2 C10 H10C 109.5 . . ?
H10A C10 H10C 109.5 . . ?
H10B C10 H10C 109.5 . . ?
C12 C11 C7 121.60(12) . . ?
C12 C11 H11 119.2 . . ?
C7 C11 H11 119.2 . . ?
C13 C12 C11 120.24(13) . . ?
C13 C12 Cl1 119.52(11) . . ?
C11 C12 Cl1 120.24(10) . . ?
C12 C13 C16 119.18(12) . . ?
C12 C13 C14 129.62(13) . . ?
C16 C13 C14 111.18(12) . . ?
N1 C14 C13 101.03(11) . . ?
N1 C14 H14A 111.6 . . ?
C13 C14 H14A 111.6 . . ?
N1 C14 H14B 111.6 . . ?
C13 C14 H14B 111.6 . . ?
H14A C14 H14B 109.4 . . ?
N1 C15 C16 100.81(10) . . ?
N1 C15 H15A 111.6 . . ?
C16 C15 H15A 111.6 . . ?
N1 C15 H15B 111.6 . . ?
C16 C15 H15B 111.6 . . ?
H15A C15 H15B 109.4 . . ?
C13 C16 C6 121.69(12) . . ?
C13 C16 C15 110.64(12) . . ?
C6 C16 C15 127.67(12) . . ?
C22 C17 C18 120.85(13) . . ?
C22 C17 S1 119.88(11) . . ?
C18 C17 S1 119.26(11) . . ?
C19 C18 C17 118.85(14) . . ?
C19 C18 H18 120.6 . . ?
C17 C18 H18 120.6 . . ?
C18 C19 C20 121.39(15) . . ?
C18 C19 H19 119.3 . . ?
C20 C19 H19 119.3 . . ?
C21 C20 C19 118.41(14) . . ?
C21 C20 C23 121.03(15) . . ?
C19 C20 C23 120.57(16) . . ?
C22 C21 C20 121.44(14) . . ?
C22 C21 H21 119.3 . . ?
C20 C21 H21 119.3 . . ?
C21 C22 C17 119.06(14) . . ?
C21 C22 H22 120.5 . . ?
C17 C22 H22 120.5 . . ?
C20 C23 H23A 109.5 . . ?
C20 C23 H23B 109.5 . . ?
H23A C23 H23B 109.5 . . ?
C20 C23 H23C 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
O2 S1 N1 C14 -171.71(10) . . . . ?
O1 S1 N1 C14 -41.28(12) . . . . ?
C17 S1 N1 C14 73.41(11) . . . . ?
O2 S1 N1 C15 40.63(12) . . . . ?
O1 S1 N1 C15 171.06(10) . . . . ?
C17 S1 N1 C15 -74.26(12) . . . . ?
C1 Si1 C4 C5 -57.7(12) . . . . ?
C2 Si1 C4 C5 -177.4(12) . . . . ?
C3 Si1 C4 C5 61.7(12) . . . . ?
Si1 C4 C5 C6 21(5) . . . . ?
C4 C5 C6 C16 78(4) . . . . ?
C4 C5 C6 C7 -101(4) . . . . ?
C16 C6 C7 C11 -1.32(19) . . . . ?
C5 C6 C7 C11 177.12(12) . . . . ?
C16 C6 C7 Si2 179.61(9) . . . . ?
C5 C6 C7 Si2 -1.94(18) . . . . ?
C9 Si2 C7 C11 119.53(12) . . . . ?
C10 Si2 C7 C11 1.14(13) . . . . ?
C8 Si2 C7 C11 -117.81(12) . . . . ?
C9 Si2 C7 C6 -61.43(13) . . . . ?
C10 Si2 C7 C6 -179.82(11) . . . . ?
C8 Si2 C7 C6 61.23(13) . . . . ?
C6 C7 C11 C12 -0.8(2) . . . . ?
Si2 C7 C11 C12 178.32(10) . . . . ?
C7 C11 C12 C13 2.6(2) . . . . ?
C7 C11 C12 Cl1 -176.92(10) . . . . ?
C11 C12 C13 C16 -2.2(2) . . . . ?
Cl1 C12 C13 C16 177.28(10) . . . . ?
C11 C12 C13 C14 179.55(13) . . . . ?
Cl1 C12 C13 C14 -1.0(2) . . . . ?
C15 N1 C14 C13 -19.45(14) . . . . ?
S1 N1 C14 C13 -169.40(9) . . . . ?
C12 C13 C14 N1 -169.99(14) . . . . ?
C16 C13 C14 N1 11.67(14) . . . . ?
C14 N1 C15 C16 19.25(14) . . . . ?
S1 N1 C15 C16 169.11(9) . . . . ?
C12 C13 C16 C6 0.1(2) . . . . ?
C14 C13 C16 C6 178.65(12) . . . . ?
C12 C13 C16 C15 -178.89(12) . . . . ?
C14 C13 C16 C15 -0.35(15) . . . . ?
C7 C6 C16 C13 1.7(2) . . . . ?
C5 C6 C16 C13 -176.82(12) . . . . ?
C7 C6 C16 C15 -179.51(12) . . . . ?
C5 C6 C16 C15 2.0(2) . . . . ?
N1 C15 C16 C13 -11.05(14) . . . . ?
N1 C15 C16 C6 170.02(13) . . . . ?
O2 S1 C17 C22 -21.72(13) . . . . ?
O1 S1 C17 C22 -153.96(11) . . . . ?
N1 S1 C17 C22 92.21(12) . . . . ?
O2 S1 C17 C18 159.33(12) . . . . ?
O1 S1 C17 C18 27.09(14) . . . . ?
N1 S1 C17 C18 -86.74(13) . . . . ?
C22 C17 C18 C19 -0.6(2) . . . . ?
S1 C17 C18 C19 178.34(12) . . . . ?
C17 C18 C19 C20 0.6(2) . . . . ?
C18 C19 C20 C21 -0.1(2) . . . . ?
C18 C19 C20 C23 -179.75(16) . . . . ?
C19 C20 C21 C22 -0.4(2) . . . . ?
C23 C20 C21 C22 179.24(15) . . . . ?
C20 C21 C22 C17 0.4(2) . . . . ?
C18 C17 C22 C21 0.1(2) . . . . ?
S1 C17 C22 C21 -178.83(11) . . . . ?

_diffrn_measured_fraction_theta_max 0.978
_diffrn_reflns_theta_full        27.51
_diffrn_measured_fraction_theta_full 0.978
_refine_diff_density_max         0.377
_refine_diff_density_min         -0.573
_refine_diff_density_rms         0.111
