# Electronic Supplementary Material (ESI) for Chemical Science.
# This journal is © The Royal Society of Chemistry 2021

####################################################################### 
# 
# 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_zxm342_0m
_database_code_depnum_ccdc_archive 'CCDC 2040657'
loop_
_audit_author_name
_audit_author_address
'Xiaoming Zhu'
;Hunan Normal University
China
;
_audit_update_record             
;
2020-10-24 deposited with the CCDC.	2021-08-02 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2014
_chemical_name_systematic        
; 
 ? 
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C27 H33 N O2 Si2'
_chemical_formula_weight         459.72

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'

_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_H-M_alt        'P 21/c'
_space_group_name_Hall           '-P 2ybc'

_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, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y-1/2, z-1/2'

_cell_length_a                   9.5504(9)
_cell_length_b                   25.159(3)
_cell_length_c                   10.9734(11)
_cell_angle_alpha                90
_cell_angle_beta                 93.6710(10)
_cell_angle_gamma                90
_cell_volume                     2631.3(4)
_cell_formula_units_Z            4
_cell_measurement_temperature    296(2)
_cell_measurement_reflns_used    9495
_cell_measurement_theta_min      2.29
_cell_measurement_theta_max      25.57

_exptl_crystal_description       block
_exptl_crystal_colour            ?
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.160
_exptl_crystal_F_000             984
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.230
_exptl_crystal_size_mid          0.220
_exptl_crystal_size_min          0.190
_exptl_absorpt_coefficient_mu    0.157
_shelx_estimated_absorpt_T_min   0.965
_shelx_estimated_absorpt_T_max   0.971
_exptl_absorpt_correction_type   none
_exptl_absorpt_correction_T_min  ?
_exptl_absorpt_correction_T_max  ?
_exptl_absorpt_process_details   ?

_exptl_special_details           
; 
 ? 
;

_diffrn_ambient_temperature      296(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   ?
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            25209
_diffrn_reflns_av_unetI/netI     0.0186
_diffrn_reflns_av_R_equivalents  0.0264
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_k_min       -29
_diffrn_reflns_limit_k_max       29
_diffrn_reflns_limit_l_min       -13
_diffrn_reflns_limit_l_max       13
_diffrn_reflns_theta_min         2.137
_diffrn_reflns_theta_max         25.006
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measured_fraction_theta_full 0.974
_diffrn_reflns_Laue_measured_fraction_max 0.999
_diffrn_reflns_Laue_measured_fraction_full 0.974
_diffrn_reflns_point_group_measured_fraction_max 0.999
_diffrn_reflns_point_group_measured_fraction_full 0.974
_reflns_number_total             4633
_reflns_number_gt                3756
_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    'SHELXS-97 (Sheldrick 2008)'
_computing_structure_refinement  'SHELXL-2014 (Sheldrick, 2014)'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'

_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)+(0.0627P)²+1.7907P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         4633
_refine_ls_number_parameters     295
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0684
_refine_ls_R_factor_gt           0.0549
_refine_ls_wR_factor_ref         0.1468
_refine_ls_wR_factor_gt          0.1404
_refine_ls_goodness_of_fit_ref   1.041
_refine_ls_restrained_S_all      1.041
_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
Si2 Si 0.41956(8) 0.38831(4) 0.54585(7) 0.0615(2) Uani 1 1 d . . . . .
O2 O 0.1838(2) 0.29437(8) 0.31576(18) 0.0685(5) Uani 1 1 d . . . . .
C16 C 0.0447(3) 0.43735(11) 0.5870(2) 0.0534(6) Uani 1 1 d . . . . .
H16 H 0.0776 0.4700 0.5615 0.064 Uiso 1 1 calc R U . . .
Si1 Si 0.27832(8) 0.39594(3) 0.10785(7) 0.0569(2) Uani 1 1 d . . . . .
C3 C 0.1030(2) 0.41172(10) 0.1733(2) 0.0464(6) Uani 1 1 d . . . . .
C4 C 0.0516(2) 0.40516(9) 0.2904(2) 0.0413(5) Uani 1 1 d . . . . .
C14 C 0.1396(2) 0.38341(9) 0.4040(2) 0.0421(5) Uani 1 1 d . . . . .
C13 C 0.1343(3) 0.32236(10) 0.3935(2) 0.0484(6) Uani 1 1 d . . . . .
N1 N 0.0585(2) 0.30294(8) 0.48450(19) 0.0504(5) Uani 1 1 d . . . . .
C21 C 0.0265(3) 0.24692(11) 0.5002(3) 0.0670(8) Uani 1 1 d . . . . .
H21A H 0.0558 0.2364 0.5830 0.080 Uiso 1 1 calc R U . . .
H21B H 0.0798 0.2261 0.4450 0.080 Uiso 1 1 calc R U . . .
C22 C -0.1255(3) 0.23470(10) 0.4767(3) 0.0609(7) Uani 1 1 d . . . . .
C23 C -0.2055(4) 0.25969(13) 0.3845(3) 0.0772(9) Uani 1 1 d . . . . .
H23 H -0.1642 0.2850 0.3365 0.093 Uiso 1 1 calc R U . . .
C24 C -0.3460(5) 0.24767(18) 0.3624(4) 0.1073(13) Uani 1 1 d . . . . .
H24 H -0.3988 0.2643 0.2993 0.129 Uiso 1 1 calc R U . . .
C25 C -0.4065(5) 0.2109(2) 0.4349(6) 0.1270(18) Uani 1 1 d . . . . .
H25 H -0.5016 0.2032 0.4226 0.152 Uiso 1 1 calc R U . . .
C1 C 0.4006(3) 0.45267(16) 0.1274(4) 0.0930(11) Uani 1 1 d . . . . .
H1A H 0.4262 0.4576 0.2127 0.139 Uiso 1 1 calc R U . . .
H1B H 0.3559 0.4843 0.0950 0.139 Uiso 1 1 calc R U . . .
H1C H 0.4833 0.4456 0.0848 0.139 Uiso 1 1 calc R U . . .
C8 C 0.0089(3) 0.43341(11) 0.0829(2) 0.0599(7) Uani 1 1 d . . . . .
H8 H 0.0409 0.4394 0.0058 0.072 Uiso 1 1 calc R U . . .
C7 C -0.1278(3) 0.44623(13) 0.1025(3) 0.0686(8) Uani 1 1 d . . . . .
H7 H -0.1859 0.4608 0.0399 0.082 Uiso 1 1 calc R U . . .
C6 C -0.1770(3) 0.43741(12) 0.2142(3) 0.0630(7) Uani 1 1 d . . . . .
H6 H -0.2699 0.4451 0.2280 0.076 Uiso 1 1 calc R U . . .
C5 C -0.0886(2) 0.41708(10) 0.3069(2) 0.0513(6) Uani 1 1 d . . . . .
H5 H -0.1235 0.4111 0.3829 0.062 Uiso 1 1 calc R U . . .
C20 C 0.0200(2) 0.34373(10) 0.5629(2) 0.0466(6) Uani 1 1 d . . . . .
C19 C -0.0527(3) 0.33949(12) 0.6674(2) 0.0603(7) Uani 1 1 d . . . . .
H19 H -0.0840 0.3067 0.6941 0.072 Uiso 1 1 calc R U . . .
C18 C -0.0770(3) 0.38528(14) 0.7302(3) 0.0684(8) Uani 1 1 d . . . . .
H18 H -0.1271 0.3836 0.8000 0.082 Uiso 1 1 calc R U . . .
C17 C -0.0286(3) 0.43374(13) 0.6920(3) 0.0651(8) Uani 1 1 d . . . . .
H17 H -0.0450 0.4642 0.7369 0.078 Uiso 1 1 calc R U . . .
C15 C 0.0679(2) 0.39205(9) 0.5212(2) 0.0428(5) Uani 1 1 d . . . . .
C27 C -0.1883(4) 0.19684(14) 0.5461(3) 0.0901(11) Uani 1 1 d . . . . .
H27 H -0.1357 0.1789 0.6074 0.108 Uiso 1 1 calc R U . . .
C26 C -0.3277(6) 0.1856(2) 0.5248(5) 0.1282(18) Uani 1 1 d . . . . .
H26 H -0.3693 0.1603 0.5726 0.154 Uiso 1 1 calc R U . . .
C12 C 0.2911(2) 0.40497(11) 0.4139(2) 0.0524(6) Uani 1 1 d . . . . .
H12A H 0.2842 0.4434 0.4109 0.063 Uiso 1 1 calc R U . . .
H12B H 0.3341 0.3940 0.3402 0.063 Uiso 1 1 calc R U . . .
C11 C 0.3920(4) 0.32177(16) 0.6116(4) 0.0998(13) Uani 1 1 d . . . . .
H11A H 0.3924 0.2955 0.5482 0.150 Uiso 1 1 calc R U . . .
H11B H 0.3034 0.3210 0.6482 0.150 Uiso 1 1 calc R U . . .
H11C H 0.4659 0.3143 0.6726 0.150 Uiso 1 1 calc R U . . .
C10 C 0.4140(5) 0.43984(19) 0.6664(4) 0.1062(13) Uani 1 1 d . . . . .
H10A H 0.4899 0.4342 0.7267 0.159 Uiso 1 1 calc R U . . .
H10B H 0.3264 0.4376 0.7043 0.159 Uiso 1 1 calc R U . . .
H10C H 0.4230 0.4744 0.6306 0.159 Uiso 1 1 calc R U . . .
C9 C 0.5947(3) 0.39232(19) 0.4824(4) 0.1011(13) Uani 1 1 d . . . . .
H9A H 0.6648 0.3794 0.5418 0.152 Uiso 1 1 calc R U . . .
H9B H 0.6147 0.4286 0.4628 0.152 Uiso 1 1 calc R U . . .
H9C H 0.5952 0.3710 0.4099 0.152 Uiso 1 1 calc R U . . .
C2 C 0.2486(4) 0.38529(18) -0.0588(3) 0.0978(12) Uani 1 1 d . . . . .
H2A H 0.3325 0.3715 -0.0907 0.147 Uiso 1 1 calc R U . . .
H2B H 0.2246 0.4185 -0.0980 0.147 Uiso 1 1 calc R U . . .
H2C H 0.1733 0.3604 -0.0742 0.147 Uiso 1 1 calc R U . . .
O1 O 0.3538(2) 0.34313(10) 0.1635(2) 0.0892(8) Uani 1 1 d . . . . .
H1 H 0.3010 0.3279 0.2082 0.134 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
Si2 C11 1.849(4) . ?
Si2 C9 1.855(3) . ?
Si2 C10 1.855(4) . ?
Si2 C12 1.884(2) . ?
O2 C13 1.224(3) . ?
C16 C15 1.375(3) . ?
C16 C17 1.389(4) . ?
C16 H16 0.9300 . ?
Si1 O1 1.613(2) . ?
Si1 C1 1.848(4) . ?
Si1 C2 1.852(4) . ?
Si1 C3 1.906(2) . ?
C3 C8 1.405(3) . ?
C3 C4 1.414(3) . ?
C4 C5 1.395(3) . ?
C4 C14 1.558(3) . ?
C14 C15 1.511(3) . ?
C14 C13 1.541(3) . ?
C14 C12 1.543(3) . ?
C13 N1 1.361(3) . ?
N1 C20 1.403(3) . ?
N1 C21 1.455(3) . ?
C21 C22 1.490(4) . ?
C21 H21A 0.9700 . ?
C21 H21B 0.9700 . ?
C22 C23 1.380(4) . ?
C22 C27 1.380(4) . ?
C23 C24 1.382(5) . ?
C23 H23 0.9300 . ?
C24 C25 1.372(7) . ?
C24 H24 0.9300 . ?
C25 C26 1.359(7) . ?
C25 H25 0.9300 . ?
C1 H1A 0.9600 . ?
C1 H1B 0.9600 . ?
C1 H1C 0.9600 . ?
C8 C7 1.375(4) . ?
C8 H8 0.9300 . ?
C7 C6 1.359(4) . ?
C7 H7 0.9300 . ?
C6 C5 1.378(4) . ?
C6 H6 0.9300 . ?
C5 H5 0.9300 . ?
C20 C19 1.382(3) . ?
C20 C15 1.387(3) . ?
C19 C18 1.370(4) . ?
C19 H19 0.9300 . ?
C18 C17 1.378(4) . ?
C18 H18 0.9300 . ?
C17 H17 0.9300 . ?
C27 C26 1.366(7) . ?
C27 H27 0.9300 . ?
C26 H26 0.9300 . ?
C12 H12A 0.9700 . ?
C12 H12B 0.9700 . ?
C11 H11A 0.9600 . ?
C11 H11B 0.9600 . ?
C11 H11C 0.9600 . ?
C10 H10A 0.9600 . ?
C10 H10B 0.9600 . ?
C10 H10C 0.9600 . ?
C9 H9A 0.9600 . ?
C9 H9B 0.9600 . ?
C9 H9C 0.9600 . ?
C2 H2A 0.9600 . ?
C2 H2B 0.9600 . ?
C2 H2C 0.9600 . ?
O1 H1 0.8200 . ?

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
C11 Si2 C9 110.49(19) . . ?
C11 Si2 C10 110.1(2) . . ?
C9 Si2 C10 107.3(2) . . ?
C11 Si2 C12 113.55(14) . . ?
C9 Si2 C12 104.95(15) . . ?
C10 Si2 C12 110.21(17) . . ?
C15 C16 C17 119.2(3) . . ?
C15 C16 H16 120.4 . . ?
C17 C16 H16 120.4 . . ?
O1 Si1 C1 109.17(17) . . ?
O1 Si1 C2 106.93(17) . . ?
C1 Si1 C2 106.40(19) . . ?
O1 Si1 C3 114.29(11) . . ?
C1 Si1 C3 111.06(16) . . ?
C2 Si1 C3 108.62(14) . . ?
C8 C3 C4 116.3(2) . . ?
C8 C3 Si1 110.63(18) . . ?
C4 C3 Si1 133.03(18) . . ?
C5 C4 C3 119.0(2) . . ?
C5 C4 C14 116.4(2) . . ?
C3 C4 C14 124.6(2) . . ?
C15 C14 C13 101.12(18) . . ?
C15 C14 C12 111.3(2) . . ?
C13 C14 C12 112.5(2) . . ?
C15 C14 C4 112.35(18) . . ?
C13 C14 C4 106.05(19) . . ?
C12 C14 C4 112.83(18) . . ?
O2 C13 N1 123.5(2) . . ?
O2 C13 C14 127.8(2) . . ?
N1 C13 C14 108.6(2) . . ?
C13 N1 C20 111.1(2) . . ?
C13 N1 C21 124.1(2) . . ?
C20 N1 C21 124.8(2) . . ?
N1 C21 C22 112.9(2) . . ?
N1 C21 H21A 109.0 . . ?
C22 C21 H21A 109.0 . . ?
N1 C21 H21B 109.0 . . ?
C22 C21 H21B 109.0 . . ?
H21A C21 H21B 107.8 . . ?
C23 C22 C27 118.6(3) . . ?
C23 C22 C21 121.4(3) . . ?
C27 C22 C21 120.0(3) . . ?
C22 C23 C24 121.0(4) . . ?
C22 C23 H23 119.5 . . ?
C24 C23 H23 119.5 . . ?
C25 C24 C23 119.1(5) . . ?
C25 C24 H24 120.5 . . ?
C23 C24 H24 120.5 . . ?
C26 C25 C24 120.2(4) . . ?
C26 C25 H25 119.9 . . ?
C24 C25 H25 119.9 . . ?
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 . . ?
C7 C8 C3 123.5(3) . . ?
C7 C8 H8 118.3 . . ?
C3 C8 H8 118.3 . . ?
C6 C7 C8 119.3(3) . . ?
C6 C7 H7 120.3 . . ?
C8 C7 H7 120.3 . . ?
C7 C6 C5 119.7(2) . . ?
C7 C6 H6 120.2 . . ?
C5 C6 H6 120.2 . . ?
C6 C5 C4 122.1(2) . . ?
C6 C5 H5 118.9 . . ?
C4 C5 H5 118.9 . . ?
C19 C20 C15 122.4(2) . . ?
C19 C20 N1 128.1(2) . . ?
C15 C20 N1 109.5(2) . . ?
C18 C19 C20 117.5(3) . . ?
C18 C19 H19 121.2 . . ?
C20 C19 H19 121.2 . . ?
C19 C18 C17 121.4(3) . . ?
C19 C18 H18 119.3 . . ?
C17 C18 H18 119.3 . . ?
C18 C17 C16 120.4(3) . . ?
C18 C17 H17 119.8 . . ?
C16 C17 H17 119.8 . . ?
C16 C15 C20 119.1(2) . . ?
C16 C15 C14 131.6(2) . . ?
C20 C15 C14 109.4(2) . . ?
C26 C27 C22 120.2(4) . . ?
C26 C27 H27 119.9 . . ?
C22 C27 H27 119.9 . . ?
C25 C26 C27 121.0(4) . . ?
C25 C26 H26 119.5 . . ?
C27 C26 H26 119.5 . . ?
C14 C12 Si2 122.51(17) . . ?
C14 C12 H12A 106.7 . . ?
Si2 C12 H12A 106.7 . . ?
C14 C12 H12B 106.7 . . ?
Si2 C12 H12B 106.7 . . ?
H12A C12 H12B 106.6 . . ?
Si2 C11 H11A 109.5 . . ?
Si2 C11 H11B 109.5 . . ?
H11A C11 H11B 109.5 . . ?
Si2 C11 H11C 109.5 . . ?
H11A C11 H11C 109.5 . . ?
H11B C11 H11C 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 . . ?
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 . . ?
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 O1 H1 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
C8 C3 C4 C5 4.0(3) . . . . ?
Si1 C3 C4 C5 -174.8(2) . . . . ?
C8 C3 C4 C14 -178.2(2) . . . . ?
Si1 C3 C4 C14 3.0(4) . . . . ?
C5 C4 C14 C15 -14.7(3) . . . . ?
C3 C4 C14 C15 167.5(2) . . . . ?
C5 C4 C14 C13 94.9(2) . . . . ?
C3 C4 C14 C13 -82.9(3) . . . . ?
C5 C4 C14 C12 -141.5(2) . . . . ?
C3 C4 C14 C12 40.6(3) . . . . ?
C15 C14 C13 O2 -177.0(3) . . . . ?
C12 C14 C13 O2 -58.1(3) . . . . ?
C4 C14 C13 O2 65.6(3) . . . . ?
C15 C14 C13 N1 5.4(2) . . . . ?
C12 C14 C13 N1 124.3(2) . . . . ?
C4 C14 C13 N1 -112.0(2) . . . . ?
O2 C13 N1 C20 177.6(2) . . . . ?
C14 C13 N1 C20 -4.7(3) . . . . ?
O2 C13 N1 C21 -0.3(4) . . . . ?
C14 C13 N1 C21 177.4(2) . . . . ?
C13 N1 C21 C22 -112.1(3) . . . . ?
C20 N1 C21 C22 70.3(3) . . . . ?
N1 C21 C22 C23 37.9(4) . . . . ?
N1 C21 C22 C27 -143.5(3) . . . . ?
C27 C22 C23 C24 0.7(5) . . . . ?
C21 C22 C23 C24 179.2(3) . . . . ?
C22 C23 C24 C25 1.0(6) . . . . ?
C23 C24 C25 C26 -1.9(7) . . . . ?
C4 C3 C8 C7 -2.4(4) . . . . ?
Si1 C3 C8 C7 176.8(3) . . . . ?
C3 C8 C7 C6 -0.5(5) . . . . ?
C8 C7 C6 C5 1.6(5) . . . . ?
C7 C6 C5 C4 0.2(4) . . . . ?
C3 C4 C5 C6 -3.1(4) . . . . ?
C14 C4 C5 C6 178.9(2) . . . . ?
C13 N1 C20 C19 -177.6(2) . . . . ?
C21 N1 C20 C19 0.3(4) . . . . ?
C13 N1 C20 C15 1.8(3) . . . . ?
C21 N1 C20 C15 179.7(2) . . . . ?
C15 C20 C19 C18 0.0(4) . . . . ?
N1 C20 C19 C18 179.4(3) . . . . ?
C20 C19 C18 C17 -1.2(4) . . . . ?
C19 C18 C17 C16 1.1(4) . . . . ?
C15 C16 C17 C18 0.2(4) . . . . ?
C17 C16 C15 C20 -1.3(4) . . . . ?
C17 C16 C15 C14 178.4(2) . . . . ?
C19 C20 C15 C16 1.2(4) . . . . ?
N1 C20 C15 C16 -178.2(2) . . . . ?
C19 C20 C15 C14 -178.6(2) . . . . ?
N1 C20 C15 C14 2.0(3) . . . . ?
C13 C14 C15 C16 175.9(2) . . . . ?
C12 C14 C15 C16 56.2(3) . . . . ?
C4 C14 C15 C16 -71.5(3) . . . . ?
C13 C14 C15 C20 -4.4(2) . . . . ?
C12 C14 C15 C20 -124.0(2) . . . . ?
C4 C14 C15 C20 108.3(2) . . . . ?
C23 C22 C27 C26 -1.5(5) . . . . ?
C21 C22 C27 C26 179.9(4) . . . . ?
C24 C25 C26 C27 1.1(8) . . . . ?
C22 C27 C26 C25 0.6(7) . . . . ?
C15 C14 C12 Si2 49.6(3) . . . . ?
C13 C14 C12 Si2 -63.1(3) . . . . ?
C4 C14 C12 Si2 177.00(18) . . . . ?
C11 Si2 C12 C14 31.1(3) . . . . ?
C9 Si2 C12 C14 151.8(3) . . . . ?
C10 Si2 C12 C14 -93.0(3) . . . . ?

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
O1 H1 O2 0.82 1.88 2.699(3) 177.8 .
O1 H1 O2 0.82 1.88 2.699(3) 177.8 .

_refine_diff_density_max         0.302
_refine_diff_density_min         -0.247
_refine_diff_density_rms         0.041

_shelxl_version_number           2014-3



####################################################################### 
# 
# 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_zxm343_0m
_database_code_depnum_ccdc_archive 'CCDC 2040658'
loop_
_audit_author_name
_audit_author_address
'Xiaoming Zhu'
;Hunan Normal University
China
;
_audit_update_record             
;
2020-10-24 deposited with the CCDC.	2021-08-02 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2014
_chemical_name_systematic        
; 
 ? 
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C24 H22 Cl N O Si'
_chemical_formula_weight         403.96

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'
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'
Cl Cl 0.1484 0.1585 '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'

_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_H-M_alt        'P -1'
_space_group_name_Hall           '-P 1'

_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, -y, -z'

_cell_length_a                   8.468(7)
_cell_length_b                   10.762(9)
_cell_length_c                   13.404(11)
_cell_angle_alpha                112.361(10)
_cell_angle_beta                 99.502(11)
_cell_angle_gamma                100.767(11)
_cell_volume                     1071.6(15)
_cell_formula_units_Z            2
_cell_measurement_temperature    296(2)
_cell_measurement_reflns_used    2701
_cell_measurement_theta_min      2.54
_cell_measurement_theta_max      26.78

_exptl_crystal_description       BLOCK
_exptl_crystal_colour            ?
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.252
_exptl_crystal_F_000             424
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.260
_exptl_crystal_size_mid          0.220
_exptl_crystal_size_min          0.190
_exptl_absorpt_coefficient_mu    0.248
_shelx_estimated_absorpt_T_min   0.938
_shelx_estimated_absorpt_T_max   0.954
_exptl_absorpt_correction_type   none
_exptl_absorpt_correction_T_min  ?
_exptl_absorpt_correction_T_max  ?
_exptl_absorpt_process_details   ?

_exptl_special_details           
; 
 ? 
;

_diffrn_ambient_temperature      296(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   ?
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            7693
_diffrn_reflns_av_unetI/netI     0.0602
_diffrn_reflns_av_R_equivalents  0.0415
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_h_max       9
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_l_min       -14
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_theta_min         2.535
_diffrn_reflns_theta_max         25.008
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.949
_diffrn_measured_fraction_theta_full 0.928
_diffrn_reflns_Laue_measured_fraction_max 0.949
_diffrn_reflns_Laue_measured_fraction_full 0.928
_diffrn_reflns_point_group_measured_fraction_max 0.949
_diffrn_reflns_point_group_measured_fraction_full 0.928
_reflns_number_total             3587
_reflns_number_gt                2608
_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    'SHELXS-97 (Sheldrick 2008)'
_computing_structure_refinement  'SHELXL-2014 (Sheldrick, 2014)'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'

_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)+(0.0906P)²] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         3587
_refine_ls_number_parameters     253
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0754
_refine_ls_R_factor_gt           0.0535
_refine_ls_wR_factor_ref         0.1552
_refine_ls_wR_factor_gt          0.1406
_refine_ls_goodness_of_fit_ref   1.037
_refine_ls_restrained_S_all      1.037
_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
Cl1 Cl 0.03771(10) 0.27214(7) -0.39998(6) 0.0719(3) Uani 1 1 d . . . . .
N1 N 0.4468(2) 0.74499(18) -0.10568(16) 0.0411(5) Uani 1 1 d . . . . .
C7 C 0.5144(3) 0.7973(2) -0.1795(2) 0.0453(6) Uani 1 1 d . . . . .
H7A H 0.5806 0.8933 -0.1359 0.054 Uiso 1 1 calc R U . . .
H7B H 0.4229 0.7968 -0.2339 0.054 Uiso 1 1 calc R U . . .
Si1 Si 0.51058(9) 0.83562(7) 0.28423(6) 0.0493(3) Uani 1 1 d . . . . .
C3 C 0.8313(4) 0.5796(3) -0.3505(3) 0.0749(9) Uani 1 1 d . . . . .
H3 H 0.9032 0.5355 -0.3871 0.090 Uiso 1 1 calc R U . . .
C4 C 0.8454(4) 0.6102(3) -0.2390(3) 0.0744(9) Uani 1 1 d . . . . .
H4 H 0.9261 0.5851 -0.2005 0.089 Uiso 1 1 calc R U . . .
C5 C 0.7418(3) 0.6771(3) -0.1849(2) 0.0550(7) Uani 1 1 d . . . . .
H5 H 0.7532 0.6978 -0.1097 0.066 Uiso 1 1 calc R U . . .
C6 C 0.6204(3) 0.7142(2) -0.2405(2) 0.0403(6) Uani 1 1 d . . . . .
C14 C 0.3839(3) 0.7286(2) 0.05521(19) 0.0393(5) Uani 1 1 d . . . . .
C16 C 0.2757(3) 0.8187(2) 0.1130(2) 0.0377(5) Uani 1 1 d . . . . .
C21 C 0.3246(3) 0.8827(2) 0.2297(2) 0.0414(6) Uani 1 1 d . . . . .
C20 C 0.2322(3) 0.9689(2) 0.2848(2) 0.0511(7) Uani 1 1 d . . . . .
H20 H 0.2620 1.0127 0.3625 0.061 Uiso 1 1 calc R U . . .
C19 C 0.0980(3) 0.9900(3) 0.2262(3) 0.0550(7) Uani 1 1 d . . . . .
H19 H 0.0375 1.0471 0.2643 0.066 Uiso 1 1 calc R U . . .
C2 C 0.7098(4) 0.6152(3) -0.4066(3) 0.0684(8) Uani 1 1 d . . . . .
H2 H 0.6985 0.5944 -0.4818 0.082 Uiso 1 1 calc R U . . .
C1 C 0.6054(3) 0.6812(3) -0.3523(2) 0.0541(7) Uani 1 1 d . . . . .
H1 H 0.5229 0.7041 -0.3913 0.065 Uiso 1 1 calc R U . . .
C13 C 0.2841(3) 0.6013(2) -0.05055(19) 0.0380(5) Uani 1 1 d . . . . .
C17 C 0.1419(3) 0.8412(2) 0.0537(2) 0.0472(6) Uani 1 1 d . . . . .
H17 H 0.1121 0.7994 -0.0240 0.057 Uiso 1 1 calc R U . . .
C18 C 0.0535(3) 0.9266(3) 0.1116(3) 0.0538(7) Uani 1 1 d . . . . .
H18 H -0.0371 0.9412 0.0723 0.065 Uiso 1 1 calc R U . . .
C23 C 0.4813(4) 0.7635(3) 0.3880(3) 0.0778(9) Uani 1 1 d . . . . .
H23A H 0.3816 0.6876 0.3572 0.117 Uiso 1 1 calc R U . . .
H23B H 0.5750 0.7304 0.4058 0.117 Uiso 1 1 calc R U . . .
H23C H 0.4721 0.8354 0.4547 0.117 Uiso 1 1 calc R U . . .
C24 C 0.4930(3) 0.6970(3) 0.1422(2) 0.0520(7) Uani 1 1 d . . . . .
H24A H 0.6025 0.6985 0.1291 0.062 Uiso 1 1 calc R U . . .
H24B H 0.4421 0.6053 0.1370 0.062 Uiso 1 1 calc R U . . .
C22 C 0.7032(4) 0.9827(3) 0.3429(3) 0.0701(8) Uani 1 1 d . . . . .
H22A H 0.7176 1.0194 0.2889 0.105 Uiso 1 1 calc R U . . .
H22B H 0.6944 1.0549 0.4095 0.105 Uiso 1 1 calc R U . . .
H22C H 0.7973 0.9499 0.3606 0.105 Uiso 1 1 calc R U . . .
C15 C 0.4937(3) 0.8131(2) 0.0090(2) 0.0407(6) Uani 1 1 d . . . . .
O1 O 0.6047(2) 0.92037(17) 0.06297(14) 0.0538(5) Uani 1 1 d . . . . .
C8 C 0.3246(3) 0.6175(2) -0.14269(19) 0.0385(5) Uani 1 1 d . . . . .
C9 C 0.2529(3) 0.5186(2) -0.2503(2) 0.0443(6) Uani 1 1 d . . . . .
H9 H 0.2817 0.5303 -0.3109 0.053 Uiso 1 1 calc R U . . .
C10 C 0.1344(3) 0.3992(2) -0.2647(2) 0.0464(6) Uani 1 1 d . . . . .
C11 C 0.0925(3) 0.3796(2) -0.1758(2) 0.0483(6) Uani 1 1 d . . . . .
H11 H 0.0141 0.2988 -0.1877 0.058 Uiso 1 1 calc R U . . .
C12 C 0.1685(3) 0.4818(2) -0.0679(2) 0.0448(6) Uani 1 1 d . . . . .
H12 H 0.1411 0.4693 -0.0073 0.054 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
Cl1 C10 1.742(3) . ?
N1 C15 1.375(3) . ?
N1 C8 1.408(3) . ?
N1 C7 1.454(3) . ?
C7 C6 1.503(3) . ?
C7 H7A 0.9700 . ?
C7 H7B 0.9700 . ?
Si1 C22 1.858(3) . ?
Si1 C23 1.861(3) . ?
Si1 C21 1.864(3) . ?
Si1 C24 1.880(3) . ?
C3 C2 1.372(4) . ?
C3 C4 1.381(4) . ?
C3 H3 0.9300 . ?
C4 C5 1.365(4) . ?
C4 H4 0.9300 . ?
C5 C6 1.377(3) . ?
C5 H5 0.9300 . ?
C6 C1 1.379(4) . ?
C14 C13 1.514(3) . ?
C14 C16 1.541(3) . ?
C14 C15 1.543(3) . ?
C14 C24 1.547(3) . ?
C16 C17 1.387(3) . ?
C16 C21 1.397(3) . ?
C21 C20 1.399(3) . ?
C20 C19 1.377(4) . ?
C20 H20 0.9300 . ?
C19 C18 1.373(4) . ?
C19 H19 0.9300 . ?
C2 C1 1.368(4) . ?
C2 H2 0.9300 . ?
C1 H1 0.9300 . ?
C13 C12 1.377(3) . ?
C13 C8 1.397(3) . ?
C17 C18 1.383(3) . ?
C17 H17 0.9300 . ?
C18 H18 0.9300 . ?
C23 H23A 0.9600 . ?
C23 H23B 0.9600 . ?
C23 H23C 0.9600 . ?
C24 H24A 0.9700 . ?
C24 H24B 0.9700 . ?
C22 H22A 0.9600 . ?
C22 H22B 0.9600 . ?
C22 H22C 0.9600 . ?
C15 O1 1.214(3) . ?
C8 C9 1.373(3) . ?
C9 C10 1.400(3) . ?
C9 H9 0.9300 . ?
C10 C11 1.376(4) . ?
C11 C12 1.390(3) . ?
C11 H11 0.9300 . ?
C12 H12 0.9300 . ?

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 N1 C8 111.21(18) . . ?
C15 N1 C7 124.59(19) . . ?
C8 N1 C7 124.20(19) . . ?
N1 C7 C6 113.84(18) . . ?
N1 C7 H7A 108.8 . . ?
C6 C7 H7A 108.8 . . ?
N1 C7 H7B 108.8 . . ?
C6 C7 H7B 108.8 . . ?
H7A C7 H7B 107.7 . . ?
C22 Si1 C23 109.93(15) . . ?
C22 Si1 C21 112.78(13) . . ?
C23 Si1 C21 113.40(14) . . ?
C22 Si1 C24 115.04(14) . . ?
C23 Si1 C24 112.88(15) . . ?
C21 Si1 C24 91.90(12) . . ?
C2 C3 C4 119.1(3) . . ?
C2 C3 H3 120.5 . . ?
C4 C3 H3 120.5 . . ?
C5 C4 C3 120.4(3) . . ?
C5 C4 H4 119.8 . . ?
C3 C4 H4 119.8 . . ?
C4 C5 C6 120.8(3) . . ?
C4 C5 H5 119.6 . . ?
C6 C5 H5 119.6 . . ?
C5 C6 C1 118.4(2) . . ?
C5 C6 C7 121.0(2) . . ?
C1 C6 C7 120.5(2) . . ?
C13 C14 C16 113.03(19) . . ?
C13 C14 C15 101.66(19) . . ?
C16 C14 C15 107.47(17) . . ?
C13 C14 C24 114.80(19) . . ?
C16 C14 C24 108.87(19) . . ?
C15 C14 C24 110.6(2) . . ?
C17 C16 C21 121.3(2) . . ?
C17 C16 C14 122.6(2) . . ?
C21 C16 C14 116.1(2) . . ?
C16 C21 C20 117.6(2) . . ?
C16 C21 Si1 111.08(17) . . ?
C20 C21 Si1 131.3(2) . . ?
C19 C20 C21 121.3(3) . . ?
C19 C20 H20 119.4 . . ?
C21 C20 H20 119.4 . . ?
C18 C19 C20 119.9(2) . . ?
C18 C19 H19 120.1 . . ?
C20 C19 H19 120.1 . . ?
C1 C2 C3 120.3(3) . . ?
C1 C2 H2 119.9 . . ?
C3 C2 H2 119.9 . . ?
C2 C1 C6 121.0(3) . . ?
C2 C1 H1 119.5 . . ?
C6 C1 H1 119.5 . . ?
C12 C13 C8 119.0(2) . . ?
C12 C13 C14 131.7(2) . . ?
C8 C13 C14 109.23(19) . . ?
C18 C17 C16 119.2(2) . . ?
C18 C17 H17 120.4 . . ?
C16 C17 H17 120.4 . . ?
C19 C18 C17 120.8(2) . . ?
C19 C18 H18 119.6 . . ?
C17 C18 H18 119.6 . . ?
Si1 C23 H23A 109.5 . . ?
Si1 C23 H23B 109.5 . . ?
H23A C23 H23B 109.5 . . ?
Si1 C23 H23C 109.5 . . ?
H23A C23 H23C 109.5 . . ?
H23B C23 H23C 109.5 . . ?
C14 C24 Si1 107.33(16) . . ?
C14 C24 H24A 110.2 . . ?
Si1 C24 H24A 110.2 . . ?
C14 C24 H24B 110.2 . . ?
Si1 C24 H24B 110.2 . . ?
H24A C24 H24B 108.5 . . ?
Si1 C22 H22A 109.5 . . ?
Si1 C22 H22B 109.5 . . ?
H22A C22 H22B 109.5 . . ?
Si1 C22 H22C 109.5 . . ?
H22A C22 H22C 109.5 . . ?
H22B C22 H22C 109.5 . . ?
O1 C15 N1 124.9(2) . . ?
O1 C15 C14 126.8(2) . . ?
N1 C15 C14 108.27(19) . . ?
C9 C8 C13 122.5(2) . . ?
C9 C8 N1 128.1(2) . . ?
C13 C8 N1 109.4(2) . . ?
C8 C9 C10 116.8(2) . . ?
C8 C9 H9 121.6 . . ?
C10 C9 H9 121.6 . . ?
C11 C10 C9 122.2(2) . . ?
C11 C10 Cl1 119.37(19) . . ?
C9 C10 Cl1 118.4(2) . . ?
C10 C11 C12 119.3(2) . . ?
C10 C11 H11 120.3 . . ?
C12 C11 H11 120.3 . . ?
C13 C12 C11 120.2(2) . . ?
C13 C12 H12 119.9 . . ?
C11 C12 H12 119.9 . . ?

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
C15 N1 C7 C6 111.1(2) . . . . ?
C8 N1 C7 C6 -68.8(3) . . . . ?
C2 C3 C4 C5 -1.1(5) . . . . ?
C3 C4 C5 C6 0.6(4) . . . . ?
C4 C5 C6 C1 0.5(4) . . . . ?
C4 C5 C6 C7 -175.4(2) . . . . ?
N1 C7 C6 C5 -47.1(3) . . . . ?
N1 C7 C6 C1 137.1(2) . . . . ?
C13 C14 C16 C17 -38.0(3) . . . . ?
C15 C14 C16 C17 73.3(3) . . . . ?
C24 C14 C16 C17 -166.9(2) . . . . ?
C13 C14 C16 C21 144.9(2) . . . . ?
C15 C14 C16 C21 -103.8(2) . . . . ?
C24 C14 C16 C21 16.1(3) . . . . ?
C17 C16 C21 C20 0.9(3) . . . . ?
C14 C16 C21 C20 178.04(18) . . . . ?
C17 C16 C21 Si1 -178.54(17) . . . . ?
C14 C16 C21 Si1 -1.4(2) . . . . ?
C22 Si1 C21 C16 107.72(18) . . . . ?
C23 Si1 C21 C16 -126.52(19) . . . . ?
C24 Si1 C21 C16 -10.53(17) . . . . ?
C22 Si1 C21 C20 -71.7(2) . . . . ?
C23 Si1 C21 C20 54.1(3) . . . . ?
C24 Si1 C21 C20 170.1(2) . . . . ?
C16 C21 C20 C19 -0.1(3) . . . . ?
Si1 C21 C20 C19 179.30(18) . . . . ?
C21 C20 C19 C18 -0.4(4) . . . . ?
C4 C3 C2 C1 0.5(5) . . . . ?
C3 C2 C1 C6 0.5(4) . . . . ?
C5 C6 C1 C2 -1.0(4) . . . . ?
C7 C6 C1 C2 174.8(2) . . . . ?
C16 C14 C13 C12 -68.5(3) . . . . ?
C15 C14 C13 C12 176.6(2) . . . . ?
C24 C14 C13 C12 57.2(3) . . . . ?
C16 C14 C13 C8 111.4(2) . . . . ?
C15 C14 C13 C8 -3.5(2) . . . . ?
C24 C14 C13 C8 -122.9(2) . . . . ?
C21 C16 C17 C18 -1.3(3) . . . . ?
C14 C16 C17 C18 -178.2(2) . . . . ?
C20 C19 C18 C17 0.1(4) . . . . ?
C16 C17 C18 C19 0.8(4) . . . . ?
C13 C14 C24 Si1 -150.22(17) . . . . ?
C16 C14 C24 Si1 -22.4(2) . . . . ?
C15 C14 C24 Si1 95.5(2) . . . . ?
C22 Si1 C24 C14 -97.4(2) . . . . ?
C23 Si1 C24 C14 135.37(19) . . . . ?
C21 Si1 C24 C14 18.92(17) . . . . ?
C8 N1 C15 O1 174.7(2) . . . . ?
C7 N1 C15 O1 -5.1(3) . . . . ?
C8 N1 C15 C14 -4.2(2) . . . . ?
C7 N1 C15 C14 175.87(19) . . . . ?
C13 C14 C15 O1 -174.3(2) . . . . ?
C16 C14 C15 O1 66.7(3) . . . . ?
C24 C14 C15 O1 -52.0(3) . . . . ?
C13 C14 C15 N1 4.6(2) . . . . ?
C16 C14 C15 N1 -114.3(2) . . . . ?
C24 C14 C15 N1 127.0(2) . . . . ?
C12 C13 C8 C9 0.2(3) . . . . ?
C14 C13 C8 C9 -179.7(2) . . . . ?
C12 C13 C8 N1 -178.85(19) . . . . ?
C14 C13 C8 N1 1.3(2) . . . . ?
C15 N1 C8 C9 -177.0(2) . . . . ?
C7 N1 C8 C9 2.9(4) . . . . ?
C15 N1 C8 C13 1.9(2) . . . . ?
C7 N1 C8 C13 -178.16(19) . . . . ?
C13 C8 C9 C10 0.6(3) . . . . ?
N1 C8 C9 C10 179.4(2) . . . . ?
C8 C9 C10 C11 -1.0(3) . . . . ?
C8 C9 C10 Cl1 178.97(17) . . . . ?
C9 C10 C11 C12 0.6(4) . . . . ?
Cl1 C10 C11 C12 -179.32(17) . . . . ?
C8 C13 C12 C11 -0.6(3) . . . . ?
C14 C13 C12 C11 179.3(2) . . . . ?
C10 C11 C12 C13 0.2(3) . . . . ?

_refine_diff_density_max         0.273
_refine_diff_density_min         -0.433
_refine_diff_density_rms         0.058

_shelxl_version_number           2014-3



####################################################################### 
# 
# 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_zxm344
_database_code_depnum_ccdc_archive 'CCDC 2040659'
loop_
_audit_author_name
_audit_author_address
'Xiaoming Zhu'
;Hunan Normal University
China
;
_audit_update_record             
;
2020-10-24 deposited with the CCDC.	2021-08-02 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2014
_chemical_name_systematic        
; 
 ? 
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C20 H20 F N Si'
_chemical_formula_weight         321.46

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'
F F 0.0171 0.0103 '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'

_space_group_crystal_system      orthorhombic
_space_group_IT_number           61
_space_group_name_H-M_alt        'P b c a'
_space_group_name_Hall           '-P 2ac 2ab'

_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+1/2, -z'
'-x, y+1/2, -z+1/2'
'-x+1/2, -y, z+1/2'
'-x, -y, -z'
'-x-1/2, y-1/2, z'
'x, -y-1/2, z-1/2'
'x-1/2, y, -z-1/2'

_cell_length_a                   12.1901(7)
_cell_length_b                   10.4424(6)
_cell_length_c                   26.4680(16)
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_volume                     3369.2(3)
_cell_formula_units_Z            8
_cell_measurement_temperature    296(2)
_cell_measurement_reflns_used    7615
_cell_measurement_theta_min      2.27
_cell_measurement_theta_max      23.88

_exptl_crystal_description       block
_exptl_crystal_colour            ?
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.267
_exptl_crystal_F_000             1360
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.230
_exptl_crystal_size_mid          0.220
_exptl_crystal_size_min          0.190
_exptl_absorpt_coefficient_mu    0.148
_shelx_estimated_absorpt_T_min   0.967
_shelx_estimated_absorpt_T_max   0.972
_exptl_absorpt_correction_type   none
_exptl_absorpt_correction_T_min  ?
_exptl_absorpt_correction_T_max  ?
_exptl_absorpt_process_details   ?

_exptl_special_details           
; 
 ? 
;

_diffrn_ambient_temperature      296(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   ?
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            33084
_diffrn_reflns_av_unetI/netI     0.0159
_diffrn_reflns_av_R_equivalents  0.0351
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_l_min       -31
_diffrn_reflns_limit_l_max       31
_diffrn_reflns_theta_min         2.271
_diffrn_reflns_theta_max         25.008
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 1.000
_diffrn_measured_fraction_theta_full 0.974
_diffrn_reflns_Laue_measured_fraction_max 1.000
_diffrn_reflns_Laue_measured_fraction_full 0.974
_diffrn_reflns_point_group_measured_fraction_max 1.000
_diffrn_reflns_point_group_measured_fraction_full 0.974
_reflns_number_total             2973
_reflns_number_gt                2356
_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    'SHELXS-97 (Sheldrick 2008)'
_computing_structure_refinement  'SHELXL-2014 (Sheldrick, 2014)'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'

_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)+(0.0502P)²+1.2321P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         2973
_refine_ls_number_parameters     208
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0552
_refine_ls_R_factor_gt           0.0409
_refine_ls_wR_factor_ref         0.1122
_refine_ls_wR_factor_gt          0.1054
_refine_ls_goodness_of_fit_ref   1.051
_refine_ls_restrained_S_all      1.051
_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
Si1 Si 0.68214(5) 0.06985(6) 0.31651(2) 0.05260(19) Uani 1 1 d . . . . .
F1 F 0.65599(14) 0.13694(18) 0.71017(5) 0.0996(5) Uani 1 1 d . . . . .
N1 N 0.62627(13) 0.09229(14) 0.50589(6) 0.0456(4) Uani 1 1 d . . . . .
C20 C 0.6035(2) -0.0058(2) 0.26448(9) 0.0750(7) Uani 1 1 d . . . . .
H20A H 0.5365 -0.0407 0.2776 0.113 Uiso 1 1 calc R U . . .
H20B H 0.5870 0.0574 0.2392 0.113 Uiso 1 1 calc R U . . .
H20C H 0.6465 -0.0731 0.2497 0.113 Uiso 1 1 calc R U . . .
C18 C 0.70152(16) -0.03262(18) 0.37465(7) 0.0499(5) Uani 1 1 d . . . . .
H18A H 0.6446 -0.0973 0.3768 0.060 Uiso 1 1 calc R U . . .
H18B H 0.7724 -0.0748 0.3739 0.060 Uiso 1 1 calc R U . . .
C15 C 0.69423(13) 0.06069(16) 0.41997(7) 0.0402(4) Uani 1 1 d . . . . .
C16 C 0.65010(15) -0.00417(17) 0.46747(7) 0.0455(4) Uani 1 1 d . . . . .
H16A H 0.5838 -0.0513 0.4594 0.055 Uiso 1 1 calc R U . . .
H16B H 0.7040 -0.0643 0.4803 0.055 Uiso 1 1 calc R U . . .
C5 C 0.64008(15) 0.08513(19) 0.55746(7) 0.0483(5) Uani 1 1 d . . . . .
C6 C 0.60617(15) 0.2035(2) 0.57821(8) 0.0521(5) Uani 1 1 d . . . . .
C1 C 0.61175(18) 0.2205(2) 0.63080(9) 0.0654(6) Uani 1 1 d . . . . .
H1 H 0.5903 0.2970 0.6458 0.078 Uiso 1 1 calc R U . . .
C2 C 0.6493(2) 0.1217(3) 0.65866(9) 0.0703(7) Uani 1 1 d . . . . .
C17 C 0.80753(14) 0.11802(18) 0.43181(8) 0.0495(5) Uani 1 1 d . . . . .
H17A H 0.8361 0.1591 0.4022 0.074 Uiso 1 1 calc R U . . .
H17B H 0.8007 0.1797 0.4585 0.074 Uiso 1 1 calc R U . . .
H17C H 0.8565 0.0510 0.4422 0.074 Uiso 1 1 calc R U . . .
C14 C 0.61475(13) 0.16708(15) 0.40453(7) 0.0404(4) Uani 1 1 d . . . . .
C13 C 0.59942(15) 0.18888(18) 0.35286(8) 0.0487(5) Uani 1 1 d . . . . .
C12 C 0.52713(17) 0.28572(19) 0.33863(9) 0.0588(5) Uani 1 1 d . . . . .
H12 H 0.5163 0.3031 0.3045 0.071 Uiso 1 1 calc R U . . .
C11 C 0.47143(18) 0.3561(2) 0.37457(9) 0.0634(6) Uani 1 1 d . . . . .
H11 H 0.4224 0.4192 0.3644 0.076 Uiso 1 1 calc R U . . .
C10 C 0.48757(16) 0.33411(18) 0.42521(9) 0.0548(5) Uani 1 1 d . . . . .
H10 H 0.4496 0.3824 0.4490 0.066 Uiso 1 1 calc R U . . .
C9 C 0.56076(14) 0.23946(16) 0.44104(7) 0.0429(4) Uani 1 1 d . . . . .
C8 C 0.58272(14) 0.21107(17) 0.49398(7) 0.0450(5) Uani 1 1 d . . . . .
C7 C 0.57071(15) 0.28035(19) 0.53737(8) 0.0528(5) Uani 1 1 d . . . . .
H7 H 0.5439 0.3635 0.5397 0.063 Uiso 1 1 calc R U . . .
C3 C 0.68082(18) 0.0044(3) 0.63913(9) 0.0694(7) Uani 1 1 d . . . . .
H3 H 0.7045 -0.0604 0.6606 0.083 Uiso 1 1 calc R U . . .
C4 C 0.67703(16) -0.0160(2) 0.58763(8) 0.0583(5) Uani 1 1 d . . . . .
H4 H 0.6982 -0.0938 0.5736 0.070 Uiso 1 1 calc R U . . .
C19 C 0.8118(2) 0.1369(2) 0.29039(9) 0.0738(7) Uani 1 1 d . . . . .
H19A H 0.8531 0.1763 0.3171 0.111 Uiso 1 1 calc R U . . .
H19B H 0.8543 0.0693 0.2755 0.111 Uiso 1 1 calc R U . . .
H19C H 0.7949 0.1998 0.2651 0.111 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
Si1 C20 1.854(2) . ?
Si1 C19 1.862(2) . ?
Si1 C13 1.867(2) . ?
Si1 C18 1.889(2) . ?
F1 C2 1.375(3) . ?
N1 C5 1.377(2) . ?
N1 C8 1.386(2) . ?
N1 C16 1.461(2) . ?
C20 H20A 0.9600 . ?
C20 H20B 0.9600 . ?
C20 H20C 0.9600 . ?
C18 C15 1.548(2) . ?
C18 H18A 0.9700 . ?
C18 H18B 0.9700 . ?
C15 C16 1.526(3) . ?
C15 C14 1.530(2) . ?
C15 C17 1.538(2) . ?
C16 H16A 0.9700 . ?
C16 H16B 0.9700 . ?
C5 C4 1.398(3) . ?
C5 C6 1.414(3) . ?
C6 C1 1.405(3) . ?
C6 C7 1.414(3) . ?
C1 C2 1.348(3) . ?
C1 H1 0.9300 . ?
C2 C3 1.384(4) . ?
C17 H17A 0.9600 . ?
C17 H17B 0.9600 . ?
C17 H17C 0.9600 . ?
C14 C9 1.392(2) . ?
C14 C13 1.399(3) . ?
C13 C12 1.393(3) . ?
C12 C11 1.381(3) . ?
C12 H12 0.9300 . ?
C11 C10 1.374(3) . ?
C11 H11 0.9300 . ?
C10 C9 1.396(3) . ?
C10 H10 0.9300 . ?
C9 C8 1.457(3) . ?
C8 C7 1.365(3) . ?
C7 H7 0.9300 . ?
C3 C4 1.380(3) . ?
C3 H3 0.9300 . ?
C4 H4 0.9300 . ?
C19 H19A 0.9600 . ?
C19 H19B 0.9600 . ?
C19 H19C 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
C20 Si1 C19 108.85(11) . . ?
C20 Si1 C13 112.77(10) . . ?
C19 Si1 C13 113.53(10) . . ?
C20 Si1 C18 115.37(10) . . ?
C19 Si1 C18 114.16(10) . . ?
C13 Si1 C18 91.42(8) . . ?
C5 N1 C8 108.72(15) . . ?
C5 N1 C16 128.92(16) . . ?
C8 N1 C16 122.35(16) . . ?
Si1 C20 H20A 109.5 . . ?
Si1 C20 H20B 109.5 . . ?
H20A C20 H20B 109.5 . . ?
Si1 C20 H20C 109.5 . . ?
H20A C20 H20C 109.5 . . ?
H20B C20 H20C 109.5 . . ?
C15 C18 Si1 105.52(12) . . ?
C15 C18 H18A 110.6 . . ?
Si1 C18 H18A 110.6 . . ?
C15 C18 H18B 110.6 . . ?
Si1 C18 H18B 110.6 . . ?
H18A C18 H18B 108.8 . . ?
C16 C15 C14 108.62(14) . . ?
C16 C15 C17 108.75(16) . . ?
C14 C15 C17 109.92(14) . . ?
C16 C15 C18 112.29(14) . . ?
C14 C15 C18 106.65(15) . . ?
C17 C15 C18 110.58(15) . . ?
N1 C16 C15 109.73(14) . . ?
N1 C16 H16A 109.7 . . ?
C15 C16 H16A 109.7 . . ?
N1 C16 H16B 109.7 . . ?
C15 C16 H16B 109.7 . . ?
H16A C16 H16B 108.2 . . ?
N1 C5 C4 130.27(19) . . ?
N1 C5 C6 107.56(17) . . ?
C4 C5 C6 122.15(19) . . ?
C1 C6 C5 118.8(2) . . ?
C1 C6 C7 134.4(2) . . ?
C5 C6 C7 106.77(17) . . ?
C2 C1 C6 117.5(2) . . ?
C2 C1 H1 121.3 . . ?
C6 C1 H1 121.3 . . ?
C1 C2 F1 118.3(2) . . ?
C1 C2 C3 124.6(2) . . ?
F1 C2 C3 117.2(2) . . ?
C15 C17 H17A 109.5 . . ?
C15 C17 H17B 109.5 . . ?
H17A C17 H17B 109.5 . . ?
C15 C17 H17C 109.5 . . ?
H17A C17 H17C 109.5 . . ?
H17B C17 H17C 109.5 . . ?
C9 C14 C13 121.81(16) . . ?
C9 C14 C15 120.54(16) . . ?
C13 C14 C15 117.65(16) . . ?
C12 C13 C14 117.83(18) . . ?
C12 C13 Si1 133.26(17) . . ?
C14 C13 Si1 108.86(13) . . ?
C11 C12 C13 120.7(2) . . ?
C11 C12 H12 119.6 . . ?
C13 C12 H12 119.6 . . ?
C10 C11 C12 120.84(19) . . ?
C10 C11 H11 119.6 . . ?
C12 C11 H11 119.6 . . ?
C11 C10 C9 120.18(19) . . ?
C11 C10 H10 119.9 . . ?
C9 C10 H10 119.9 . . ?
C14 C9 C10 118.57(18) . . ?
C14 C9 C8 118.05(15) . . ?
C10 C9 C8 123.38(17) . . ?
C7 C8 N1 108.90(17) . . ?
C7 C8 C9 132.97(17) . . ?
N1 C8 C9 118.13(16) . . ?
C8 C7 C6 108.03(17) . . ?
C8 C7 H7 126.0 . . ?
C6 C7 H7 126.0 . . ?
C4 C3 C2 119.7(2) . . ?
C4 C3 H3 120.1 . . ?
C2 C3 H3 120.1 . . ?
C3 C4 C5 117.3(2) . . ?
C3 C4 H4 121.4 . . ?
C5 C4 H4 121.4 . . ?
Si1 C19 H19A 109.5 . . ?
Si1 C19 H19B 109.5 . . ?
H19A C19 H19B 109.5 . . ?
Si1 C19 H19C 109.5 . . ?
H19A C19 H19C 109.5 . . ?
H19B C19 H19C 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
C20 Si1 C18 C15 -143.44(13) . . . . ?
C19 Si1 C18 C15 89.36(15) . . . . ?
C13 Si1 C18 C15 -27.31(13) . . . . ?
Si1 C18 C15 C16 150.63(13) . . . . ?
Si1 C18 C15 C14 31.77(16) . . . . ?
Si1 C18 C15 C17 -87.71(16) . . . . ?
C5 N1 C16 C15 -143.07(18) . . . . ?
C8 N1 C16 C15 37.5(2) . . . . ?
C14 C15 C16 N1 -52.05(19) . . . . ?
C17 C15 C16 N1 67.56(18) . . . . ?
C18 C15 C16 N1 -169.74(14) . . . . ?
C8 N1 C5 C4 177.27(19) . . . . ?
C16 N1 C5 C4 -2.2(3) . . . . ?
C8 N1 C5 C6 -1.1(2) . . . . ?
C16 N1 C5 C6 179.43(17) . . . . ?
N1 C5 C6 C1 179.69(17) . . . . ?
C4 C5 C6 C1 1.2(3) . . . . ?
N1 C5 C6 C7 0.7(2) . . . . ?
C4 C5 C6 C7 -177.89(18) . . . . ?
C5 C6 C1 C2 -0.1(3) . . . . ?
C7 C6 C1 C2 178.6(2) . . . . ?
C6 C1 C2 F1 179.60(18) . . . . ?
C6 C1 C2 C3 -1.2(4) . . . . ?
C16 C15 C14 C9 36.1(2) . . . . ?
C17 C15 C14 C9 -82.8(2) . . . . ?
C18 C15 C14 C9 157.29(16) . . . . ?
C16 C15 C14 C13 -144.38(16) . . . . ?
C17 C15 C14 C13 96.75(19) . . . . ?
C18 C15 C14 C13 -23.2(2) . . . . ?
C9 C14 C13 C12 -0.4(3) . . . . ?
C15 C14 C13 C12 -179.98(16) . . . . ?
C9 C14 C13 Si1 -178.29(13) . . . . ?
C15 C14 C13 Si1 2.16(19) . . . . ?
C20 Si1 C13 C12 -43.9(2) . . . . ?
C19 Si1 C13 C12 80.5(2) . . . . ?
C18 Si1 C13 C12 -162.3(2) . . . . ?
C20 Si1 C13 C14 133.51(14) . . . . ?
C19 Si1 C13 C14 -102.09(15) . . . . ?
C18 Si1 C13 C14 15.13(14) . . . . ?
C14 C13 C12 C11 -1.0(3) . . . . ?
Si1 C13 C12 C11 176.22(17) . . . . ?
C13 C12 C11 C10 1.3(3) . . . . ?
C12 C11 C10 C9 -0.2(3) . . . . ?
C13 C14 C9 C10 1.5(3) . . . . ?
C15 C14 C9 C10 -178.94(16) . . . . ?
C13 C14 C9 C8 -179.27(16) . . . . ?
C15 C14 C9 C8 0.3(2) . . . . ?
C11 C10 C9 C14 -1.2(3) . . . . ?
C11 C10 C9 C8 179.62(18) . . . . ?
C5 N1 C8 C7 1.2(2) . . . . ?
C16 N1 C8 C7 -179.34(16) . . . . ?
C5 N1 C8 C9 -179.73(15) . . . . ?
C16 N1 C8 C9 -0.2(2) . . . . ?
C14 C9 C8 C7 158.73(19) . . . . ?
C10 C9 C8 C7 -22.1(3) . . . . ?
C14 C9 C8 N1 -20.1(2) . . . . ?
C10 C9 C8 N1 159.04(17) . . . . ?
N1 C8 C7 C6 -0.7(2) . . . . ?
C9 C8 C7 C6 -179.66(19) . . . . ?
C1 C6 C7 C8 -178.8(2) . . . . ?
C5 C6 C7 C8 0.1(2) . . . . ?
C1 C2 C3 C4 1.5(4) . . . . ?
F1 C2 C3 C4 -179.29(19) . . . . ?
C2 C3 C4 C5 -0.4(3) . . . . ?
N1 C5 C4 C3 -179.04(19) . . . . ?
C6 C5 C4 C3 -0.9(3) . . . . ?

_refine_diff_density_max         0.208
_refine_diff_density_min         -0.223
_refine_diff_density_rms         0.032

_shelxl_version_number           2014-3



