# Electronic Supplementary Material (ESI) for Organic Chemistry Frontiers.
# This journal is © the Partner Organisations 2024

####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_yzp054
_database_code_depnum_ccdc_archive 'CCDC 2344771'
loop_
_audit_author_name
_audit_author_address
'Yuqiao Zhou'
;College of Chemistry, Sichuan University, Chengdu, China
China
;
_audit_update_record             
;
2024-04-01 deposited with the CCDC.	2024-04-15 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2019/1
_shelx_SHELXL_version_number     2019/1
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C29 H34 N2 O3 Si'
_chemical_formula_sum            'C29 H34 N2 O3 Si'
_chemical_formula_weight         486.67

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'
O O 0.0492 0.0322 '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'

_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                   9.3844(3)
_cell_length_b                   31.1691(8)
_cell_length_c                   8.9688(2)
_cell_angle_alpha                90
_cell_angle_beta                 95.6640(10)
_cell_angle_gamma                90
_cell_volume                     2610.60(12)
_cell_formula_units_Z            4
_cell_measurement_temperature    173(2)
_cell_measurement_reflns_used    9840
_cell_measurement_theta_min      4.74
_cell_measurement_theta_max      68.56

_exptl_crystal_description       block
_exptl_crystal_colour            colourless
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.238
_exptl_crystal_F_000             1040
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.563
_exptl_crystal_size_mid          0.219
_exptl_crystal_size_min          0.196
_exptl_absorpt_coefficient_mu    1.051
_shelx_estimated_absorpt_T_min   0.589
_shelx_estimated_absorpt_T_max   0.821
_exptl_absorpt_correction_type   numerical
_exptl_absorpt_correction_T_min  0.5677
_exptl_absorpt_correction_T_max  1.0000
_exptl_absorpt_process_details   'SADABS (Krause et al., 2015)'
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      173(2)
_diffrn_radiation_wavelength     1.54178
_diffrn_radiation_type           CuK\a
_diffrn_source                   ?
_diffrn_measurement_device_type  'Bruker D8 Venture Photon II'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            33875
_diffrn_reflns_av_unetI/netI     0.0477
_diffrn_reflns_av_R_equivalents  0.0747
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_k_min       -37
_diffrn_reflns_limit_k_max       37
_diffrn_reflns_limit_l_min       -10
_diffrn_reflns_limit_l_max       10
_diffrn_reflns_theta_min         2.835
_diffrn_reflns_theta_max         68.556
_diffrn_reflns_theta_full        67.679
_diffrn_measured_fraction_theta_max 0.995
_diffrn_measured_fraction_theta_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.995
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.995
_diffrn_reflns_point_group_measured_fraction_full 0.998
_reflns_number_total             4794
_reflns_number_gt                4415
_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 APEX3'
_computing_cell_refinement       'Bruker SAINT'
_computing_data_reduction        'Bruker SAINT'
_computing_structure_solution    'SHELXT (Sheldrick 2008)'
_computing_structure_refinement  'SHELXL-2019/1 (Sheldrick, 2019)'
_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)+(0.1189P)²+6.2824P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     dual
_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_number_reflns         4794
_refine_ls_number_parameters     251
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0932
_refine_ls_R_factor_gt           0.0877
_refine_ls_wR_factor_ref         0.2261
_refine_ls_wR_factor_gt          0.2208
_refine_ls_goodness_of_fit_ref   1.040
_refine_ls_restrained_S_all      1.040
_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
Si Si 0.33777(9) 0.39994(2) 1.00680(9) 0.0234(3) Uani 1 1 d . . . . .
O1 O 0.0032(3) 0.37053(8) 0.8550(3) 0.0325(6) Uani 1 1 d . . . . .
O2 O 0.3334(2) 0.37329(6) 0.8453(2) 0.0224(5) Uani 1 1 d . . . . .
O3 O 0.0144(3) 0.23635(8) 0.8764(3) 0.0414(6) Uani 1 1 d . . . . .
N1 N 0.0980(3) 0.30258(8) 0.8240(3) 0.0224(5) Uani 1 1 d . . . . .
N2 N 0.2157(3) 0.28343(8) 0.7572(3) 0.0201(5) Uani 1 1 d . . . . .
C1 C 0.0927(3) 0.34680(10) 0.8118(3) 0.0228(6) Uani 1 1 d . . . . .
C2 C 0.2243(3) 0.36100(9) 0.7340(3) 0.0205(6) Uani 1 1 d . . . . .
C3 C 0.2666(3) 0.31813(9) 0.6621(3) 0.0193(6) Uani 1 1 d . . . . .
H3 H 0.210962 0.315969 0.561387 0.023 Uiso 1 1 calc R U . . .
C4 C 0.4243(3) 0.31426(9) 0.6390(3) 0.0188(6) Uani 1 1 d . . . . .
C5 C 0.4855(4) 0.34418(10) 0.5491(3) 0.0250(7) Uani 1 1 d . . . . .
H5 H 0.428230 0.366610 0.503404 0.030 Uiso 1 1 calc R U . . .
C6 C 0.6293(4) 0.34159(11) 0.5254(4) 0.0302(7) Uani 1 1 d . . . . .
H6 H 0.670315 0.362470 0.465427 0.036 Uiso 1 1 calc R U . . .
C7 C 0.7129(4) 0.30836(12) 0.5897(4) 0.0321(7) Uani 1 1 d . . . . .
H7 H 0.811076 0.306252 0.572889 0.039 Uiso 1 1 calc R U . . .
C8 C 0.6529(3) 0.27853(11) 0.6778(4) 0.0273(7) Uani 1 1 d . . . . .
H8 H 0.710388 0.255819 0.721324 0.033 Uiso 1 1 calc R U . . .
C9 C 0.5087(3) 0.28109(9) 0.7045(3) 0.0210(6) Uani 1 1 d . . . . .
C10 C 0.4458(3) 0.24889(10) 0.8038(3) 0.0249(6) Uani 1 1 d . . . . .
H10A H 0.520557 0.238847 0.881588 0.030 Uiso 1 1 calc R U . . .
H10B H 0.410094 0.223786 0.743682 0.030 Uiso 1 1 calc R U . . .
C11 C 0.3236(3) 0.26909(9) 0.8778(3) 0.0225(6) Uani 1 1 d . . . . .
H11A H 0.281155 0.247894 0.942746 0.027 Uiso 1 1 calc R U . . .
H11B H 0.358860 0.293800 0.940323 0.027 Uiso 1 1 calc R U . . .
C12 C 0.0039(4) 0.27466(11) 0.8920(4) 0.0297(7) Uani 1 1 d . . . . .
C13 C -0.0996(4) 0.29530(13) 0.9859(5) 0.0404(9) Uani 1 1 d . . . . .
H13A H -0.166369 0.273631 1.017015 0.061 Uiso 1 1 calc R U . . .
H13B H -0.153211 0.317658 0.927604 0.061 Uiso 1 1 calc R U . . .
H13C H -0.047292 0.308150 1.074863 0.061 Uiso 1 1 calc R U . . .
C21X C 0.321(2) 0.4324(5) 0.6532(19) 0.0301(4) Uani 0.088(3) 1 d G . P A 1
H21A H 0.398285 0.429475 0.729433 0.036 Uiso 0.088(3) 1 calc R U P A 1
C22X C 0.215(2) 0.4011(5) 0.636(2) 0.0301(4) Uani 0.088(3) 1 d G . P A 1
C23X C 0.102(2) 0.4053(5) 0.524(2) 0.0301(4) Uani 0.088(3) 1 d G . P A 1
H23A H 0.030061 0.383932 0.512070 0.036 Uiso 0.088(3) 1 calc R U P A 1
C24X C 0.0953(17) 0.4409(5) 0.430(2) 0.0301(4) Uani 0.088(3) 1 d G . P A 1
H24A H 0.018077 0.443797 0.353891 0.036 Uiso 0.088(3) 1 calc R U P A 1
C25X C 0.2011(15) 0.4722(4) 0.4477(15) 0.0301(4) Uani 0.088(3) 1 d G . P A 1
C26X C 0.3140(15) 0.4679(4) 0.5592(15) 0.0301(4) Uani 0.088(3) 1 d G . P A 1
C27X C 0.4198(17) 0.4993(5) 0.577(2) 0.0301(4) Uani 0.088(3) 1 d G . P A 1
H27A H 0.496974 0.496342 0.653054 0.036 Uiso 0.088(3) 1 calc R U P A 1
C28X C 0.413(2) 0.5348(5) 0.483(2) 0.0301(4) Uani 0.088(3) 1 d G . P A 1
H28A H 0.484996 0.556209 0.494877 0.036 Uiso 0.088(3) 1 calc R U P A 1
C29X C 0.300(2) 0.5391(5) 0.371(2) 0.0301(4) Uani 0.088(3) 1 d G . P A 1
H29A H 0.294895 0.563371 0.307106 0.036 Uiso 0.088(3) 1 calc R U P A 1
C30X C 0.194(2) 0.5078(5) 0.3537(19) 0.0301(4) Uani 0.088(3) 1 d G . P A 1
H30A H 0.116772 0.510668 0.277508 0.036 Uiso 0.088(3) 1 calc R U P A 1
C21Y C 0.25758(19) 0.43242(5) 0.60332(18) 0.0301(4) Uani 0.912(3) 1 d G . P A 2
H21B H 0.341997 0.436832 0.669125 0.036 Uiso 0.912(3) 1 calc R U P A 2
C22Y C 0.1791(2) 0.39486(5) 0.6124(2) 0.0301(4) Uani 0.912(3) 1 d G . P A 2
C23Y C 0.0555(2) 0.38841(5) 0.5161(2) 0.0301(4) Uani 0.912(3) 1 d G . P A 2
H23B H 0.001877 0.362734 0.522278 0.036 Uiso 0.912(3) 1 calc R U P A 2
C24Y C 0.01055(17) 0.41951(5) 0.4108(2) 0.0301(4) Uani 0.912(3) 1 d G . P A 2
H24B H -0.073872 0.415103 0.344968 0.036 Uiso 0.912(3) 1 calc R U P A 2
C25Y C 0.08907(14) 0.45708(4) 0.40172(14) 0.0301(4) Uani 0.912(3) 1 d G . P A 2
C26Y C 0.21258(14) 0.46353(4) 0.49800(14) 0.0301(4) Uani 0.912(3) 1 d G . P A 2
C27Y C 0.29111(17) 0.50109(5) 0.4890(2) 0.0301(4) Uani 0.912(3) 1 d G . P A 2
H27B H 0.375524 0.505502 0.554755 0.036 Uiso 0.912(3) 1 calc R U P A 2
C28Y C 0.2461(2) 0.53220(4) 0.3836(2) 0.0301(4) Uani 0.912(3) 1 d G . P A 2
H28B H 0.299779 0.557873 0.377446 0.036 Uiso 0.912(3) 1 calc R U P A 2
C29Y C 0.1226(2) 0.52575(5) 0.2873(2) 0.0301(4) Uani 0.912(3) 1 d G . P A 2
H29B H 0.091847 0.547010 0.215365 0.036 Uiso 0.912(3) 1 calc R U P A 2
C30Y C 0.04407(18) 0.48819(5) 0.29639(18) 0.0301(4) Uani 0.912(3) 1 d G . P A 2
H30B H -0.040343 0.483777 0.230592 0.036 Uiso 0.912(3) 1 calc R U P A 2
C31 C 0.2533(5) 0.45386(11) 0.9823(4) 0.0417(9) Uani 1 1 d . . . . .
H31A H 0.154275 0.450716 0.937667 0.062 Uiso 1 1 calc R U . . .
H31B H 0.307142 0.471304 0.916249 0.062 Uiso 1 1 calc R U . . .
H31C H 0.254114 0.467954 1.080049 0.062 Uiso 1 1 calc R U . . .
C32 C 0.2457(4) 0.36958(12) 1.1484(4) 0.0332(8) Uani 1 1 d . . . . .
H32A H 0.141765 0.372146 1.125324 0.050 Uiso 1 1 calc R U . . .
H32B H 0.273598 0.381345 1.248361 0.050 Uiso 1 1 calc R U . . .
H32C H 0.273247 0.339280 1.146015 0.050 Uiso 1 1 calc R U . . .
C33 C 0.5358(4) 0.40351(11) 1.0641(4) 0.0326(8) Uani 1 1 d . . . . .
C34 C 0.5612(5) 0.43228(13) 1.2037(4) 0.0433(9) Uani 1 1 d . . . . .
H34A H 0.663862 0.433267 1.236766 0.065 Uiso 1 1 calc R U . . .
H34B H 0.509372 0.420562 1.284161 0.065 Uiso 1 1 calc R U . . .
H34C H 0.526617 0.461340 1.179017 0.065 Uiso 1 1 calc R U . . .
C35 C 0.6140(5) 0.42312(17) 0.9369(5) 0.0555(12) Uani 1 1 d . . . . .
H35A H 0.715121 0.427545 0.972139 0.083 Uiso 1 1 calc R U . . .
H35B H 0.570049 0.450713 0.906778 0.083 Uiso 1 1 calc R U . . .
H35C H 0.606526 0.403578 0.850853 0.083 Uiso 1 1 calc R U . . .
C36 C 0.5973(4) 0.35862(14) 1.1019(5) 0.0448(9) Uani 1 1 d . . . . .
H36A H 0.700097 0.360952 1.133141 0.067 Uiso 1 1 calc R U . . .
H36B H 0.582450 0.340205 1.013128 0.067 Uiso 1 1 calc R U . . .
H36C H 0.548712 0.346126 1.183370 0.067 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
Si O2 1.667(2) . ?
Si C31 1.862(4) . ?
Si C32 1.863(3) . ?
Si C33 1.881(4) . ?
O1 C1 1.211(4) . ?
O2 C2 1.411(4) . ?
O3 C12 1.207(4) . ?
N1 C1 1.383(4) . ?
N1 C12 1.420(4) . ?
N1 N2 1.437(3) . ?
N2 C11 1.477(4) . ?
N2 C3 1.485(4) . ?
C1 C2 1.542(4) . ?
C2 C22X 1.527(13) . ?
C2 C22Y 1.547(3) . ?
C2 C3 1.552(4) . ?
C3 C4 1.519(4) . ?
C4 C5 1.393(4) . ?
C4 C9 1.396(4) . ?
C5 C6 1.388(5) . ?
C6 C7 1.390(5) . ?
C7 C8 1.376(5) . ?
C8 C9 1.400(4) . ?
C9 C10 1.501(4) . ?
C10 C11 1.517(4) . ?
C12 C13 1.493(5) . ?
C21X C22X 1.3900 . ?
C21X C26X 1.3900 . ?
C22X C23X 1.3900 . ?
C23X C24X 1.3900 . ?
C24X C25X 1.3900 . ?
C25X C26X 1.3900 . ?
C25X C30X 1.3900 . ?
C26X C27X 1.3900 . ?
C27X C28X 1.3900 . ?
C27X C28X 2.01(4) 3_666 ?
C28X C29X 1.3900 . ?
C29X C30X 1.3900 . ?
C21Y C22Y 1.3900 . ?
C21Y C26Y 1.3900 . ?
C22Y C23Y 1.3900 . ?
C23Y C24Y 1.3900 . ?
C24Y C25Y 1.3900 . ?
C25Y C26Y 1.3900 . ?
C25Y C30Y 1.3900 . ?
C26Y C27Y 1.3900 . ?
C27Y C28Y 1.3900 . ?
C28Y C29Y 1.3900 . ?
C29Y C30Y 1.3900 . ?
C33 C36 1.539(6) . ?
C33 C34 1.540(5) . ?
C33 C35 1.543(5) . ?

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 Si C31 111.95(15) . . ?
O2 Si C32 111.47(14) . . ?
C31 Si C32 108.56(17) . . ?
O2 Si C33 101.85(13) . . ?
C31 Si C33 112.11(18) . . ?
C32 Si C33 110.85(17) . . ?
C2 O2 Si 134.75(18) . . ?
C1 N1 C12 128.7(3) . . ?
C1 N1 N2 113.8(2) . . ?
C12 N1 N2 117.4(2) . . ?
N1 N2 C11 108.6(2) . . ?
N1 N2 C3 104.0(2) . . ?
C11 N2 C3 113.9(2) . . ?
O1 C1 N1 127.2(3) . . ?
O1 C1 C2 125.5(3) . . ?
N1 C1 C2 107.3(2) . . ?
O2 C2 C22X 100.5(8) . . ?
O2 C2 C1 108.4(2) . . ?
C22X C2 C1 119.7(8) . . ?
O2 C2 C22Y 116.3(2) . . ?
C1 C2 C22Y 109.8(2) . . ?
O2 C2 C3 109.3(2) . . ?
C22X C2 C3 117.8(9) . . ?
C1 C2 C3 100.9(2) . . ?
C22Y C2 C3 111.0(2) . . ?
N2 C3 C4 113.2(2) . . ?
N2 C3 C2 106.2(2) . . ?
C4 C3 C2 114.7(2) . . ?
C5 C4 C9 119.4(3) . . ?
C5 C4 C3 119.2(3) . . ?
C9 C4 C3 121.4(3) . . ?
C6 C5 C4 120.8(3) . . ?
C5 C6 C7 119.8(3) . . ?
C8 C7 C6 119.7(3) . . ?
C7 C8 C9 121.1(3) . . ?
C4 C9 C8 119.2(3) . . ?
C4 C9 C10 120.3(3) . . ?
C8 C9 C10 120.4(3) . . ?
C9 C10 C11 109.9(2) . . ?
N2 C11 C10 107.4(2) . . ?
O3 C12 N1 119.7(3) . . ?
O3 C12 C13 123.8(3) . . ?
N1 C12 C13 116.4(3) . . ?
C22X C21X C26X 120.0 . . ?
C21X C22X C23X 120.0 . . ?
C21X C22X C2 120.7(11) . . ?
C23X C22X C2 119.2(11) . . ?
C24X C23X C22X 120.0 . . ?
C25X C24X C23X 120.0 . . ?
C24X C25X C26X 120.0 . . ?
C24X C25X C30X 120.0 . . ?
C26X C25X C30X 120.0 . . ?
C27X C26X C25X 120.0 . . ?
C27X C26X C21X 120.0 . . ?
C25X C26X C21X 120.0 . . ?
C28X C27X C26X 120.0 . . ?
C28X C27X C28X 104.6(15) . 3_666 ?
C26X C27X C28X 99.6(14) . 3_666 ?
C27X C28X C29X 120.0 . . ?
C27X C28X C27X 75.4(14) . 3_666 ?
C29X C28X C27X 114.8(18) . 3_666 ?
C28X C29X C30X 120.0 . . ?
C29X C30X C25X 120.0 . . ?
C22Y C21Y C26Y 120.0 . . ?
C21Y C22Y C23Y 120.0 . . ?
C21Y C22Y C2 120.38(15) . . ?
C23Y C22Y C2 119.56(15) . . ?
C22Y C23Y C24Y 120.0 . . ?
C23Y C24Y C25Y 120.0 . . ?
C26Y C25Y C24Y 120.0 . . ?
C26Y C25Y C30Y 120.0 . . ?
C24Y C25Y C30Y 120.0 . . ?
C27Y C26Y C25Y 120.0 . . ?
C27Y C26Y C21Y 120.0 . . ?
C25Y C26Y C21Y 120.0 . . ?
C26Y C27Y C28Y 120.0 . . ?
C27Y C28Y C29Y 120.0 . . ?
C28Y C29Y C30Y 120.0 . . ?
C29Y C30Y C25Y 120.0 . . ?
C36 C33 C34 109.0(3) . . ?
C36 C33 C35 109.1(3) . . ?
C34 C33 C35 108.9(3) . . ?
C36 C33 Si 110.2(2) . . ?
C34 C33 Si 109.0(3) . . ?
C35 C33 Si 110.5(3) . . ?

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
C31 Si O2 C2 -55.6(3) . . . . ?
C32 Si O2 C2 66.3(3) . . . . ?
C33 Si O2 C2 -175.5(3) . . . . ?
C1 N1 N2 C11 106.6(3) . . . . ?
C12 N1 N2 C11 -73.7(3) . . . . ?
C1 N1 N2 C3 -15.0(3) . . . . ?
C12 N1 N2 C3 164.7(3) . . . . ?
C12 N1 C1 O1 -1.7(5) . . . . ?
N2 N1 C1 O1 178.0(3) . . . . ?
C12 N1 C1 C2 177.6(3) . . . . ?
N2 N1 C1 C2 -2.7(3) . . . . ?
Si O2 C2 C22X 86.8(9) . . . . ?
Si O2 C2 C1 -39.5(3) . . . . ?
Si O2 C2 C22Y 84.8(3) . . . . ?
Si O2 C2 C3 -148.6(2) . . . . ?
O1 C1 C2 O2 82.8(4) . . . . ?
N1 C1 C2 O2 -96.5(3) . . . . ?
O1 C1 C2 C22X -31.4(10) . . . . ?
N1 C1 C2 C22X 149.3(10) . . . . ?
O1 C1 C2 C22Y -45.2(4) . . . . ?
N1 C1 C2 C22Y 135.4(2) . . . . ?
O1 C1 C2 C3 -162.5(3) . . . . ?
N1 C1 C2 C3 18.2(3) . . . . ?
N1 N2 C3 C4 152.8(2) . . . . ?
C11 N2 C3 C4 34.8(3) . . . . ?
N1 N2 C3 C2 26.2(3) . . . . ?
C11 N2 C3 C2 -91.9(3) . . . . ?
O2 C2 C3 N2 86.9(3) . . . . ?
C22X C2 C3 N2 -159.4(9) . . . . ?
C1 C2 C3 N2 -27.1(3) . . . . ?
C22Y C2 C3 N2 -143.5(2) . . . . ?
O2 C2 C3 C4 -38.8(3) . . . . ?
C22X C2 C3 C4 74.9(9) . . . . ?
C1 C2 C3 C4 -152.8(2) . . . . ?
C22Y C2 C3 C4 90.8(3) . . . . ?
N2 C3 C4 C5 178.5(2) . . . . ?
C2 C3 C4 C5 -59.5(3) . . . . ?
N2 C3 C4 C9 -0.7(4) . . . . ?
C2 C3 C4 C9 121.3(3) . . . . ?
C9 C4 C5 C6 -0.7(4) . . . . ?
C3 C4 C5 C6 -179.9(3) . . . . ?
C4 C5 C6 C7 1.2(5) . . . . ?
C5 C6 C7 C8 -0.7(5) . . . . ?
C6 C7 C8 C9 -0.2(5) . . . . ?
C5 C4 C9 C8 -0.2(4) . . . . ?
C3 C4 C9 C8 179.0(3) . . . . ?
C5 C4 C9 C10 179.0(3) . . . . ?
C3 C4 C9 C10 -1.8(4) . . . . ?
C7 C8 C9 C4 0.7(5) . . . . ?
C7 C8 C9 C10 -178.6(3) . . . . ?
C4 C9 C10 C11 -27.9(4) . . . . ?
C8 C9 C10 C11 151.3(3) . . . . ?
N1 N2 C11 C10 179.8(2) . . . . ?
C3 N2 C11 C10 -64.9(3) . . . . ?
C9 C10 C11 N2 59.3(3) . . . . ?
C1 N1 C12 O3 170.9(3) . . . . ?
N2 N1 C12 O3 -8.8(5) . . . . ?
C1 N1 C12 C13 -11.8(5) . . . . ?
N2 N1 C12 C13 168.5(3) . . . . ?
C26X C21X C22X C23X 0.0 . . . . ?
C26X C21X C22X C2 177.7(15) . . . . ?
O2 C2 C22X C21X 12.9(10) . . . . ?
C1 C2 C22X C21X 131.2(7) . . . . ?
C3 C2 C22X C21X -105.6(9) . . . . ?
O2 C2 C22X C23X -169.4(9) . . . . ?
C1 C2 C22X C23X -51.1(13) . . . . ?
C3 C2 C22X C23X 72.2(12) . . . . ?
C21X C22X C23X C24X 0.0 . . . . ?
C2 C22X C23X C24X -177.8(14) . . . . ?
C22X C23X C24X C25X 0.0 . . . . ?
C23X C24X C25X C26X 0.0 . . . . ?
C23X C24X C25X C30X 180.0 . . . . ?
C24X C25X C26X C27X 180.0 . . . . ?
C30X C25X C26X C27X 0.0 . . . . ?
C24X C25X C26X C21X 0.0 . . . . ?
C30X C25X C26X C21X 180.0 . . . . ?
C22X C21X C26X C27X 180.0 . . . . ?
C22X C21X C26X C25X 0.0 . . . . ?
C25X C26X C27X C28X 0.0 . . . . ?
C21X C26X C27X C28X 180.0 . . . . ?
C25X C26X C27X C28X -113.1(18) . . . 3_666 ?
C21X C26X C27X C28X 66.9(18) . . . 3_666 ?
C26X C27X C28X C29X 0.0 . . . . ?
C28X C27X C28X C29X 110.5(17) 3_666 . . . ?
C26X C27X C28X C27X -110.5(17) . . . 3_666 ?
C28X C27X C28X C27X 0.0(5) 3_666 . . 3_666 ?
C27X C28X C29X C30X 0.0 . . . . ?
C27X C28X C29X C30X 86.9(12) 3_666 . . . ?
C28X C29X C30X C25X 0.0 . . . . ?
C24X C25X C30X C29X 180.0 . . . . ?
C26X C25X C30X C29X 0.0 . . . . ?
C26Y C21Y C22Y C23Y 0.0 . . . . ?
C26Y C21Y C22Y C2 -177.15(18) . . . . ?
O2 C2 C22Y C21Y 9.1(3) . . . . ?
C1 C2 C22Y C21Y 132.62(18) . . . . ?
C3 C2 C22Y C21Y -116.6(2) . . . . ?
O2 C2 C22Y C23Y -168.04(17) . . . . ?
C1 C2 C22Y C23Y -44.5(2) . . . . ?
C3 C2 C22Y C23Y 66.2(3) . . . . ?
C21Y C22Y C23Y C24Y 0.0 . . . . ?
C2 C22Y C23Y C24Y 177.17(18) . . . . ?
C22Y C23Y C24Y C25Y 0.0 . . . . ?
C23Y C24Y C25Y C26Y 0.0 . . . . ?
C23Y C24Y C25Y C30Y 180.0 . . . . ?
C24Y C25Y C26Y C27Y 180.0 . . . . ?
C30Y C25Y C26Y C27Y 0.0 . . . . ?
C24Y C25Y C26Y C21Y 0.0 . . . . ?
C30Y C25Y C26Y C21Y 180.0 . . . . ?
C22Y C21Y C26Y C27Y 180.0 . . . . ?
C22Y C21Y C26Y C25Y 0.0 . . . . ?
C25Y C26Y C27Y C28Y 0.0 . . . . ?
C21Y C26Y C27Y C28Y 180.0 . . . . ?
C26Y C27Y C28Y C29Y 0.0 . . . . ?
C27Y C28Y C29Y C30Y 0.0 . . . . ?
C28Y C29Y C30Y C25Y 0.0 . . . . ?
C26Y C25Y C30Y C29Y 0.0 . . . . ?
C24Y C25Y C30Y C29Y 180.0 . . . . ?
O2 Si C33 C36 -67.2(3) . . . . ?
C31 Si C33 C36 173.0(3) . . . . ?
C32 Si C33 C36 51.5(3) . . . . ?
O2 Si C33 C34 173.2(2) . . . . ?
C31 Si C33 C34 53.4(3) . . . . ?
C32 Si C33 C34 -68.1(3) . . . . ?
O2 Si C33 C35 53.6(3) . . . . ?
C31 Si C33 C35 -66.3(3) . . . . ?
C32 Si C33 C35 172.2(3) . . . . ?

_refine_diff_density_max         1.183
_refine_diff_density_min         -0.914
_refine_diff_density_rms         0.104



_exptl_crystal_recrystallization_method 
'Re-crystallisation from solvent: EA, Hexane'
