# Electronic Supplementary Material (ESI) for Polymer Chemistry.
# 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_Oleg_DBN5_rt_07272017
_database_code_depnum_ccdc_archive 'CCDC 1566196'
#Added by publCIF



_audit_update_record             
;
2017-08-02 deposited with the CCDC.
2018-04-27 downloaded from the CCDC.
;
_publcif_datablock.id            {6e312b67-dc18-4328-88bd-ece2360f99f7}

_diffrn_radiation_monochromator  'HELIOS optics'
#Added by publCIF




_symmetry_space_group_name_hall  '-I 2ya'
# publcif _publ_body_element loop end

_audit_creation_method           SHELXL-2014/7
_shelx_SHELXL_version_number     2014/7
_chemical_name_systematic        
1-(hex-5-ynyl)-3-(3-(2-(trimethylsilyl)ethynyl)phenyl)thiourea
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C24 H36 N2 S Si'
_chemical_formula_sum            'C24 H36 N2 S Si'
_chemical_formula_weight         412.70

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'
N N 0.0311 0.0180 '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'
S S 0.3331 0.5567 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_space_group_crystal_system      monoclinic
_space_group_IT_number           15
_space_group_name_H-M_alt        'I 2/a'
_space_group_name_Hall           '-I 2ya'

_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.
;

loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x+1/2, y, -z'
'x+1/2, y+1/2, z+1/2'
'-x+1, y+1/2, -z+1/2'
'-x, -y, -z'
'x-1/2, -y, z'
'-x+1/2, -y+1/2, -z+1/2'
'x, -y+1/2, z+1/2'

_cell_length_a                   24.712(7)
_cell_length_b                   8.4842(15)
_cell_length_c                   24.907(6)
_cell_angle_alpha                90
_cell_angle_beta                 101.616(10)
_cell_angle_gamma                90
_cell_volume                     5115(2)
_cell_formula_units_Z            8
_cell_measurement_temperature    299(2)
_cell_measurement_reflns_used    4560
_cell_measurement_theta_min      3.62
_cell_measurement_theta_max      65.56

_exptl_crystal_description       blade
_exptl_crystal_colour            colourless
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.072
_exptl_crystal_F_000             1792
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.640
_exptl_crystal_size_mid          0.080
_exptl_crystal_size_min          0.060
_exptl_absorpt_coefficient_mu    1.637
_shelx_estimated_absorpt_T_min   0.421
_shelx_estimated_absorpt_T_max   0.908
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.6302
_exptl_absorpt_correction_T_max  0.7528
_exptl_absorpt_process_details   
;
SADABS (Krause, Herbst-Irmer, Sheldrick, & Stalke;  J. Appl. Cryst. 2015, 48,
3-10)
;

_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      299(2)
_diffrn_radiation_wavelength     1.54184
_diffrn_radiation_type           CuK\a
_diffrn_source                   'I\mS microfocus tube'
_diffrn_measurement_device_type  
'Bruker Kappa D8 APEX-II DUO CCD diffractometer'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            16729
_diffrn_reflns_av_unetI/netI     0.0280
_diffrn_reflns_av_R_equivalents  0.0319
_diffrn_reflns_limit_h_min       -26
_diffrn_reflns_limit_h_max       29
_diffrn_reflns_limit_k_min       -10
_diffrn_reflns_limit_k_max       3
_diffrn_reflns_limit_l_min       -28
_diffrn_reflns_limit_l_max       29
_diffrn_reflns_theta_min         3.623
_diffrn_reflns_theta_max         66.934
_diffrn_reflns_theta_full        66.934
_diffrn_measured_fraction_theta_max 0.982
_diffrn_measured_fraction_theta_full 0.982
_diffrn_reflns_Laue_measured_fraction_max 0.982
_diffrn_reflns_Laue_measured_fraction_full 0.982
_diffrn_reflns_point_group_measured_fraction_max 0.982
_diffrn_reflns_point_group_measured_fraction_full 0.982
_reflns_number_total             4474
_reflns_number_gt                3412
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .

_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.
;

_computing_data_collection       'Bruker APEX2'
_computing_cell_refinement       'Bruker SAINT'
_computing_data_reduction        'Bruker SAINT'
_computing_structure_solution    'SIR97 (Altomare et al., 1999)'
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_molecular_graphics    'ORTEP-3 for Windows (Farrugia, 2012)'
_computing_publication_material  'publCIF (Westrip, 2010)'
_refine_special_details          ?
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0764P)²+1.8528P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   mixed
_refine_ls_hydrogen_treatment    mixed
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         4474
_refine_ls_number_parameters     265
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0613
_refine_ls_R_factor_gt           0.0470
_refine_ls_wR_factor_ref         0.1468
_refine_ls_wR_factor_gt          0.1331
_refine_ls_goodness_of_fit_ref   1.054
_refine_ls_restrained_S_all      1.054
_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_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 0.07008(2) 0.53294(7) 0.29523(2) 0.0722(2) Uani 1 1 d . . . . .
Si1 Si 0.28429(3) 0.41567(9) 0.13663(3) 0.0806(2) Uani 1 1 d . . . . .
N1 N 0.00360(9) 0.7736(2) 0.30181(8) 0.0772(5) Uani 1 1 d . . . . .
H1N H -0.0183(11) 0.844(3) 0.2860(11) 0.093 Uiso 1 1 d . U . . .
N2 N 0.02165(7) 0.7376(2) 0.21821(7) 0.0681(5) Uani 1 1 d . . . . .
H2N H -0.0013(10) 0.807(3) 0.2102(10) 0.082 Uiso 1 1 d . U . . .
C1 C -0.10568(14) 0.5102(5) 0.53741(16) 0.1208(11) Uani 1 1 d . . . . .
H1 H -0.1076 0.4973 0.5740 0.145 Uiso 1 1 calc R U . . .
C2 C -0.10322(12) 0.5262(4) 0.49180(14) 0.1034(9) Uani 1 1 d . . . . .
C3 C -0.10064(13) 0.5486(4) 0.43422(13) 0.1114(10) Uani 1 1 d . . . . .
H3A H -0.1330 0.6071 0.4163 0.134 Uiso 1 1 calc R U . . .
H3B H -0.1017 0.4463 0.4166 0.134 Uiso 1 1 calc R U . . .
C4 C -0.05006(11) 0.6344(3) 0.42629(10) 0.0845(7) Uani 1 1 d . . . . .
H4A H -0.0177 0.5762 0.4443 0.101 Uiso 1 1 calc R U . . .
H4B H -0.0490 0.7370 0.4436 0.101 Uiso 1 1 calc R U . . .
C5 C -0.04786(10) 0.6561(3) 0.36638(9) 0.0805(6) Uani 1 1 d . . . . .
H5A H -0.0478 0.5535 0.3492 0.097 Uiso 1 1 calc R U . . .
H5B H -0.0807 0.7119 0.3481 0.097 Uiso 1 1 calc R U . . .
C6 C 0.00217(11) 0.7461(3) 0.35904(10) 0.0819(7) Uani 1 1 d . . . . .
H6A H 0.0029 0.8467 0.3777 0.098 Uiso 1 1 calc R U . . .
H6B H 0.0350 0.6879 0.3760 0.098 Uiso 1 1 calc R U . . .
C7 C 0.03004(8) 0.6875(2) 0.27076(9) 0.0633(5) Uani 1 1 d . . . . .
C8 C 0.04142(8) 0.6808(2) 0.17248(8) 0.0614(5) Uani 1 1 d . . . . .
C9 C 0.09356(8) 0.6180(3) 0.17561(9) 0.0656(5) Uani 1 1 d . . . . .
H9 H 0.1172 0.6055 0.2095 0.079 Uiso 1 1 calc R U . . .
C10 C 0.11054(9) 0.5736(3) 0.12788(10) 0.0715(6) Uani 1 1 d . . . . .
C11 C 0.07531(11) 0.5924(3) 0.07749(10) 0.0853(7) Uani 1 1 d . . . . .
H11 H 0.0864 0.5614 0.0455 0.102 Uiso 1 1 calc R U . . .
C12 C 0.02388(10) 0.6574(4) 0.07508(10) 0.0892(7) Uani 1 1 d . . . . .
H12 H 0.0003 0.6719 0.0413 0.107 Uiso 1 1 calc R U . . .
C13 C 0.00713(9) 0.7009(3) 0.12233(9) 0.0751(6) Uani 1 1 d . . . . .
H13 H -0.0278 0.7443 0.1203 0.090 Uiso 1 1 calc R U . . .
C14 C 0.16536(10) 0.5126(3) 0.13129(10) 0.0819(7) Uani 1 1 d . . . . .
C15 C 0.21159(11) 0.4671(4) 0.13387(11) 0.0907(8) Uani 1 1 d . . . . .
C16 C 0.32415(17) 0.4769(6) 0.20446(17) 0.1468(16) Uani 1 1 d . . . . .
H16 H 0.3125 0.3953 0.2276 0.176 Uiso 1 1 calc R U . . .
C17 C 0.3097(2) 0.6108(7) 0.2303(2) 0.199(2) Uani 1 1 d . . . . .
H17A H 0.3282 0.6099 0.2681 0.298 Uiso 1 1 calc R U . . .
H17B H 0.2705 0.6121 0.2280 0.298 Uiso 1 1 calc R U . . .
H17C H 0.3205 0.7029 0.2127 0.298 Uiso 1 1 calc R U . . .
C18 C 0.38573(15) 0.4369(6) 0.21224(18) 0.1593(18) Uani 1 1 d . . . . .
H18A H 0.4001 0.4787 0.1821 0.239 Uiso 1 1 calc R U . . .
H18B H 0.3904 0.3245 0.2136 0.239 Uiso 1 1 calc R U . . .
H18C H 0.4053 0.4824 0.2459 0.239 Uiso 1 1 calc R U . . .
C19 C 0.28860(13) 0.1969(4) 0.13027(15) 0.1111(10) Uani 1 1 d . . . . .
H19 H 0.3278 0.1706 0.1337 0.133 Uiso 1 1 calc R U . . .
C20 C 0.25899(17) 0.1405(6) 0.07392(19) 0.1579(17) Uani 1 1 d . . . . .
H20A H 0.2595 0.0274 0.0728 0.237 Uiso 1 1 calc R U . . .
H20B H 0.2774 0.1817 0.0465 0.237 Uiso 1 1 calc R U . . .
H20C H 0.2214 0.1767 0.0669 0.237 Uiso 1 1 calc R U . . .
C21 C 0.2681(2) 0.1080(6) 0.1755(2) 0.178(2) Uani 1 1 d . . . . .
H21A H 0.2294 0.1275 0.1725 0.267 Uiso 1 1 calc R U . . .
H21B H 0.2879 0.1434 0.2106 0.267 Uiso 1 1 calc R U . . .
H21C H 0.2741 -0.0029 0.1718 0.267 Uiso 1 1 calc R U . . .
C22 C 0.30296(14) 0.5150(5) 0.07668(14) 0.1126(10) Uani 1 1 d . . . . .
H22 H 0.2761 0.4762 0.0450 0.135 Uiso 1 1 calc R U . . .
C23 C 0.35955(18) 0.4701(6) 0.0647(2) 0.173(2) Uani 1 1 d . . . . .
H23A H 0.3683 0.5388 0.0371 0.259 Uiso 1 1 calc R U . . .
H23B H 0.3585 0.3630 0.0520 0.259 Uiso 1 1 calc R U . . .
H23C H 0.3873 0.4802 0.0976 0.259 Uiso 1 1 calc R U . . .
C24 C 0.2955(2) 0.6898(6) 0.0756(2) 0.185(2) Uani 1 1 d . . . . .
H24A H 0.3240 0.7373 0.1026 0.277 Uiso 1 1 calc R U . . .
H24B H 0.2600 0.7152 0.0834 0.277 Uiso 1 1 calc R U . . .
H24C H 0.2977 0.7292 0.0399 0.277 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
S1 C7 1.681(2) . ?
Si1 C15 1.836(3) . ?
Si1 C16 1.850(4) . ?
Si1 C22 1.852(3) . ?
Si1 C19 1.867(3) . ?
N1 C7 1.328(3) . ?
N1 C6 1.452(3) . ?
N1 H1N 0.85(3) . ?
N2 C7 1.352(3) . ?
N2 C8 1.412(3) . ?
N2 H2N 0.81(3) . ?
C1 C2 1.158(4) . ?
C1 H1 0.9300 . ?
C2 C3 1.461(4) . ?
C3 C4 1.493(4) . ?
C3 H3A 0.9700 . ?
C3 H3B 0.9700 . ?
C4 C5 1.515(3) . ?
C4 H4A 0.9700 . ?
C4 H4B 0.9700 . ?
C5 C6 1.495(3) . ?
C5 H5A 0.9700 . ?
C5 H5B 0.9700 . ?
C6 H6A 0.9700 . ?
C6 H6B 0.9700 . ?
C8 C13 1.371(3) . ?
C8 C9 1.382(3) . ?
C9 C10 1.390(3) . ?
C9 H9 0.9300 . ?
C10 C11 1.385(3) . ?
C10 C14 1.437(3) . ?
C11 C12 1.375(3) . ?
C11 H11 0.9300 . ?
C12 C13 1.374(3) . ?
C12 H12 0.9300 . ?
C13 H13 0.9300 . ?
C14 C15 1.195(3) . ?
C16 C17 1.387(6) . ?
C16 C18 1.533(5) . ?
C16 H16 0.9800 . ?
C17 H17A 0.9600 . ?
C17 H17B 0.9600 . ?
C17 H17C 0.9600 . ?
C18 H18A 0.9600 . ?
C18 H18B 0.9600 . ?
C18 H18C 0.9600 . ?
C19 C20 1.524(5) . ?
C19 C21 1.524(5) . ?
C19 H19 0.9800 . ?
C20 H20A 0.9600 . ?
C20 H20B 0.9600 . ?
C20 H20C 0.9600 . ?
C21 H21A 0.9600 . ?
C21 H21B 0.9600 . ?
C21 H21C 0.9600 . ?
C22 C24 1.494(5) . ?
C22 C23 1.535(5) . ?
C22 H22 0.9800 . ?
C23 H23A 0.9600 . ?
C23 H23B 0.9600 . ?
C23 H23C 0.9600 . ?
C24 H24A 0.9600 . ?
C24 H24B 0.9600 . ?
C24 H24C 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
C15 Si1 C16 107.73(16) . . ?
C15 Si1 C22 105.21(14) . . ?
C16 Si1 C22 115.8(2) . . ?
C15 Si1 C19 107.75(14) . . ?
C16 Si1 C19 109.11(19) . . ?
C22 Si1 C19 110.86(16) . . ?
C7 N1 C6 126.5(2) . . ?
C7 N1 H1N 117.5(18) . . ?
C6 N1 H1N 115.4(18) . . ?
C7 N2 C8 131.55(19) . . ?
C7 N2 H2N 115.4(17) . . ?
C8 N2 H2N 112.7(17) . . ?
C2 C1 H1 180.0 . . ?
C1 C2 C3 179.1(4) . . ?
C2 C3 C4 113.4(3) . . ?
C2 C3 H3A 108.9 . . ?
C4 C3 H3A 108.9 . . ?
C2 C3 H3B 108.9 . . ?
C4 C3 H3B 108.9 . . ?
H3A C3 H3B 107.7 . . ?
C3 C4 C5 112.7(2) . . ?
C3 C4 H4A 109.0 . . ?
C5 C4 H4A 109.0 . . ?
C3 C4 H4B 109.0 . . ?
C5 C4 H4B 109.0 . . ?
H4A C4 H4B 107.8 . . ?
C6 C5 C4 112.2(2) . . ?
C6 C5 H5A 109.2 . . ?
C4 C5 H5A 109.2 . . ?
C6 C5 H5B 109.2 . . ?
C4 C5 H5B 109.2 . . ?
H5A C5 H5B 107.9 . . ?
N1 C6 C5 112.7(2) . . ?
N1 C6 H6A 109.0 . . ?
C5 C6 H6A 109.0 . . ?
N1 C6 H6B 109.0 . . ?
C5 C6 H6B 109.0 . . ?
H6A C6 H6B 107.8 . . ?
N1 C7 N2 113.2(2) . . ?
N1 C7 S1 122.74(17) . . ?
N2 C7 S1 124.11(16) . . ?
C13 C8 C9 119.83(19) . . ?
C13 C8 N2 116.22(19) . . ?
C9 C8 N2 123.80(19) . . ?
C8 C9 C10 119.6(2) . . ?
C8 C9 H9 120.2 . . ?
C10 C9 H9 120.2 . . ?
C11 C10 C9 120.1(2) . . ?
C11 C10 C14 120.5(2) . . ?
C9 C10 C14 119.4(2) . . ?
C12 C11 C10 119.5(2) . . ?
C12 C11 H11 120.3 . . ?
C10 C11 H11 120.3 . . ?
C13 C12 C11 120.3(2) . . ?
C13 C12 H12 119.8 . . ?
C11 C12 H12 119.8 . . ?
C8 C13 C12 120.6(2) . . ?
C8 C13 H13 119.7 . . ?
C12 C13 H13 119.7 . . ?
C15 C14 C10 177.7(3) . . ?
C14 C15 Si1 174.8(3) . . ?
C17 C16 C18 117.6(4) . . ?
C17 C16 Si1 121.0(3) . . ?
C18 C16 Si1 112.7(3) . . ?
C17 C16 H16 99.9 . . ?
C18 C16 H16 99.9 . . ?
Si1 C16 H16 99.9 . . ?
C16 C17 H17A 109.5 . . ?
C16 C17 H17B 109.5 . . ?
H17A C17 H17B 109.5 . . ?
C16 C17 H17C 109.5 . . ?
H17A C17 H17C 109.5 . . ?
H17B C17 H17C 109.5 . . ?
C16 C18 H18A 109.5 . . ?
C16 C18 H18B 109.5 . . ?
H18A C18 H18B 109.5 . . ?
C16 C18 H18C 109.5 . . ?
H18A C18 H18C 109.5 . . ?
H18B C18 H18C 109.5 . . ?
C20 C19 C21 110.8(4) . . ?
C20 C19 Si1 111.4(3) . . ?
C21 C19 Si1 113.3(3) . . ?
C20 C19 H19 106.9 . . ?
C21 C19 H19 106.9 . . ?
Si1 C19 H19 106.9 . . ?
C19 C20 H20A 109.5 . . ?
C19 C20 H20B 109.5 . . ?
H20A C20 H20B 109.5 . . ?
C19 C20 H20C 109.5 . . ?
H20A C20 H20C 109.5 . . ?
H20B C20 H20C 109.5 . . ?
C19 C21 H21A 109.5 . . ?
C19 C21 H21B 109.5 . . ?
H21A C21 H21B 109.5 . . ?
C19 C21 H21C 109.5 . . ?
H21A C21 H21C 109.5 . . ?
H21B C21 H21C 109.5 . . ?
C24 C22 C23 110.9(3) . . ?
C24 C22 Si1 114.6(3) . . ?
C23 C22 Si1 115.3(3) . . ?
C24 C22 H22 104.9 . . ?
C23 C22 H22 104.9 . . ?
Si1 C22 H22 104.9 . . ?
C22 C23 H23A 109.5 . . ?
C22 C23 H23B 109.5 . . ?
H23A C23 H23B 109.5 . . ?
C22 C23 H23C 109.5 . . ?
H23A C23 H23C 109.5 . . ?
H23B C23 H23C 109.5 . . ?
C22 C24 H24A 109.5 . . ?
C22 C24 H24B 109.5 . . ?
H24A C24 H24B 109.5 . . ?
C22 C24 H24C 109.5 . . ?
H24A C24 H24C 109.5 . . ?
H24B C24 H24C 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
C2 C3 C4 C5 179.8(3) . . . . ?
C3 C4 C5 C6 178.4(2) . . . . ?
C7 N1 C6 C5 -95.9(3) . . . . ?
C4 C5 C6 N1 -177.5(2) . . . . ?
C6 N1 C7 N2 177.0(2) . . . . ?
C6 N1 C7 S1 -3.4(3) . . . . ?
C8 N2 C7 N1 -179.8(2) . . . . ?
C8 N2 C7 S1 0.6(3) . . . . ?
C7 N2 C8 C13 148.7(2) . . . . ?
C7 N2 C8 C9 -35.8(3) . . . . ?
C13 C8 C9 C10 -0.9(3) . . . . ?
N2 C8 C9 C10 -176.2(2) . . . . ?
C8 C9 C10 C11 0.0(3) . . . . ?
C8 C9 C10 C14 178.2(2) . . . . ?
C9 C10 C11 C12 1.0(4) . . . . ?
C14 C10 C11 C12 -177.2(3) . . . . ?
C10 C11 C12 C13 -1.1(4) . . . . ?
C9 C8 C13 C12 0.7(4) . . . . ?
N2 C8 C13 C12 176.4(2) . . . . ?
C11 C12 C13 C8 0.2(4) . . . . ?
C15 Si1 C16 C17 -34.3(5) . . . . ?
C22 Si1 C16 C17 83.1(5) . . . . ?
C19 Si1 C16 C17 -151.1(5) . . . . ?
C15 Si1 C16 C18 178.8(3) . . . . ?
C22 Si1 C16 C18 -63.8(4) . . . . ?
C19 Si1 C16 C18 62.1(4) . . . . ?
C15 Si1 C19 C20 66.3(3) . . . . ?
C16 Si1 C19 C20 -177.0(3) . . . . ?
C22 Si1 C19 C20 -48.3(3) . . . . ?
C15 Si1 C19 C21 -59.5(3) . . . . ?
C16 Si1 C19 C21 57.2(4) . . . . ?
C22 Si1 C19 C21 -174.2(3) . . . . ?
C15 Si1 C22 C24 58.2(4) . . . . ?
C16 Si1 C22 C24 -60.6(4) . . . . ?
C19 Si1 C22 C24 174.4(3) . . . . ?
C15 Si1 C22 C23 -171.1(3) . . . . ?
C16 Si1 C22 C23 70.1(4) . . . . ?
C19 Si1 C22 C23 -54.9(4) . . . . ?

loop_
_geom_hbond_atom_site_label_D
_geom_hbond_atom_site_label_H
_geom_hbond_atom_site_label_A
_geom_hbond_distance_DH
_geom_hbond_distance_HA
_geom_hbond_distance_DA
_geom_hbond_angle_DHA
_geom_hbond_site_symmetry_A
N1 H1N S1 0.85(3) 2.69(3) 3.497(2) 158(2) 4_455
N2 H2N S1 0.81(3) 2.55(3) 3.350(2) 169(2) 4_455
C9 H9 S1 0.93 2.70 3.229(2) 116.9 .

_refine_diff_density_max         0.278
_refine_diff_density_min         -0.207
_refine_diff_density_rms         0.033

