# Electronic Supplementary Material (ESI) for Journal of Materials Chemistry C.
# 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_mo200705a
_database_code_depnum_ccdc_archive 'CCDC 2061563'
loop_
_audit_author_name
_audit_author_address
'Zhikuan Zhou'
;Hangzhou Normal University
China
;
_audit_update_record             
;
2021-02-07 deposited with the CCDC.	2021-04-28 downloaded from the CCDC.
;
_audit_creation_date             2020-07-05
_audit_creation_method           
;
Olex2 1.3
(compiled 2020.02.04 svn.rd84adfe8 for OlexSys, GUI svn.r6032)
;
_shelx_SHELXL_version_number     2014/7
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C37 H38 O Si2'
_chemical_formula_sum            'C37 H38 O Si2'
_chemical_formula_weight         554.85
_chemical_absolute_configuration unk
_chemical_melting_point          ?
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'
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'

_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.
;
_space_group_crystal_system      monoclinic
_space_group_IT_number           4
_space_group_name_H-M_alt        'P 1 21 1'
_space_group_name_Hall           'P 2yb'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y+1/2, -z'

_cell_length_a                   9.2671(15)
_cell_length_b                   10.1603(16)
_cell_length_c                   17.650(3)
_cell_angle_alpha                90
_cell_angle_beta                 99.289(4)
_cell_angle_gamma                90
_cell_volume                     1640.1(5)
_cell_formula_units_Z            2
_cell_measurement_reflns_used    1380
_cell_measurement_temperature    296.15
_cell_measurement_theta_max      19.931
_cell_measurement_theta_min      2.321
_shelx_estimated_absorpt_T_max   0.984
_shelx_estimated_absorpt_T_min   0.967
_exptl_absorpt_coefficient_mu    0.134
_exptl_absorpt_correction_T_max  1.0000
_exptl_absorpt_correction_T_min  0.8099
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
SADABS-2016/2 (Bruker,2016/2) was used for absorption correction.
wR2(int) was 0.0928 before and 0.0790 after correction.
The Ratio of minimum to maximum transmission is 0.8099.
The λ/2 correction factor is 0.00150.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            colourless
_exptl_crystal_colour_primary    colourless
_exptl_crystal_density_diffrn    1.124
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       needle
_exptl_crystal_F_000             592
_exptl_crystal_size_max          0.25
_exptl_crystal_size_mid          0.12
_exptl_crystal_size_min          0.12
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0736
_diffrn_reflns_av_unetI/netI     0.1134
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 0.996
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       23
_diffrn_reflns_limit_l_min       -23
_diffrn_reflns_number            17169
_diffrn_reflns_point_group_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.986
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         28.322
_diffrn_reflns_theta_min         2.227
_diffrn_ambient_temperature      296.15
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 0.996
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   ?
_diffrn_source_current           30.0
_diffrn_source_power             1.35
_diffrn_source_voltage           45.0
_diffrn_standards_number         0
_reflns_Friedel_coverage         0.876
_reflns_Friedel_fraction_full    0.996
_reflns_Friedel_fraction_max     0.975
_reflns_number_gt                4154
_reflns_number_total             8073
_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.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       'SAINT V8.38A (Bruker, 2018)'
_computing_data_collection       ?
_computing_data_reduction        'SAINT V8.38A (Bruker, 2018)'
_computing_molecular_graphics    'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_structure_refinement  'XL  (Sheldrick, 2008)'
_computing_structure_solution    'XT  (Sheldrick, 2015)'
_refine_diff_density_max         0.258
_refine_diff_density_min         -0.198
_refine_diff_density_rms         0.038
_refine_ls_abs_structure_details 
;
 Flack x determined using 1380 quotients [(I+)-(I-)]/[(I+)+(I-)]
 (Parsons, Flack and Wagner, Acta Cryst. B69 (2013) 249-259).
;
_refine_ls_abs_structure_Flack   0.28(12)
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.973
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     366
_refine_ls_number_reflns         8073
_refine_ls_number_restraints     1
_refine_ls_R_factor_all          0.1390
_refine_ls_R_factor_gt           0.0587
_refine_ls_restrained_S_all      0.973
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0479P)²] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1193
_refine_ls_wR_factor_ref         0.1511
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2.a Aromatic/amide H refined with riding coordinates:
 C4(H4), C5(H5), C6(H6), C7(H7), C8(H8), C10(H10), C11(H11), C12(H12),
 C13(H13), C14(H14), C16(H16), C17(H17), C18(H18), C19(H19), C20(H20), C22(H22),
  C23(H23), C25(H25), C26(H26), C32(H32), C33(H33), C35(H35), C36(H36)
2.b Idealised Me refined as rotating group:
 C27(H27A,H27B,H27C), C28(H28A,H28B,H28C), C29(H29A,H29B,H29C), C30(H30A,H30B,
 H30C), C37(H37A,H37B,H37C)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     dual
_atom_sites_solution_secondary   ?
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 0.08096(14) 0.86313(14) 0.12993(8) 0.0594(4) Uani 1 1 d . . . . .
Si2 Si 0.29374(16) 0.86307(16) 0.06976(7) 0.0635(4) Uani 1 1 d . . . . .
O1 O 0.8249(4) 0.8731(5) 0.3177(3) 0.1023(14) Uani 1 1 d . . . . .
C1 C 0.2928(5) 0.2922(4) 0.3325(3) 0.0430(11) Uani 1 1 d . . . . .
C2 C 0.1688(4) 0.3610(5) 0.3317(2) 0.0423(9) Uani 1 1 d . . . . .
C3 C 0.3968(4) 0.3226(4) 0.2781(2) 0.0428(11) Uani 1 1 d . . . . .
C4 C 0.3529(5) 0.3325(4) 0.2000(3) 0.0536(12) Uani 1 1 d . . . . .
H4 H 0.2547 0.3210 0.1796 0.064 Uiso 1 1 calc R U . . .
C5 C 0.4526(6) 0.3592(6) 0.1509(3) 0.0669(13) Uani 1 1 d . . . . .
H5 H 0.4214 0.3648 0.0983 0.080 Uiso 1 1 calc R U . . .
C6 C 0.5974(6) 0.3772(6) 0.1808(3) 0.0740(15) Uani 1 1 d . . . . .
H6 H 0.6645 0.3963 0.1485 0.089 Uiso 1 1 calc R U . . .
C7 C 0.6428(5) 0.3670(6) 0.2578(3) 0.0680(13) Uani 1 1 d . . . . .
H7 H 0.7409 0.3791 0.2780 0.082 Uiso 1 1 calc R U . . .
C8 C 0.5445(5) 0.3389(5) 0.3057(3) 0.0534(12) Uani 1 1 d . . . . .
H8 H 0.5776 0.3305 0.3581 0.064 Uiso 1 1 calc R U . . .
C9 C 0.3444(4) 0.1855(4) 0.3884(2) 0.0433(10) Uani 1 1 d . . . . .
C10 C 0.4086(5) 0.0726(5) 0.3657(3) 0.0613(14) Uani 1 1 d . . . . .
H10 H 0.4100 0.0586 0.3138 0.074 Uiso 1 1 calc R U . . .
C11 C 0.4705(6) -0.0198(6) 0.4182(4) 0.0749(16) Uani 1 1 d . . . . .
H11 H 0.5126 -0.0954 0.4017 0.090 Uiso 1 1 calc R U . . .
C12 C 0.4697(6) 0.0003(6) 0.4952(4) 0.0740(16) Uani 1 1 d . . . . .
H12 H 0.5135 -0.0607 0.5310 0.089 Uiso 1 1 calc R U . . .
C13 C 0.4046(5) 0.1096(5) 0.5190(3) 0.0604(13) Uani 1 1 d . . . . .
H13 H 0.4025 0.1223 0.5710 0.073 Uiso 1 1 calc R U . . .
C14 C 0.3417(4) 0.2015(5) 0.4661(3) 0.0478(11) Uani 1 1 d . . . . .
H14 H 0.2968 0.2754 0.4829 0.057 Uiso 1 1 calc R U . . .
C15 C 0.0533(4) 0.3253(4) 0.3780(2) 0.0422(11) Uani 1 1 d . . . . .
C16 C -0.0068(5) 0.2005(5) 0.3754(3) 0.0533(12) Uani 1 1 d . . . . .
H16 H 0.0263 0.1364 0.3448 0.064 Uiso 1 1 calc R U . . .
C17 C -0.1150(5) 0.1695(5) 0.4177(3) 0.0608(13) Uani 1 1 d . . . . .
H17 H -0.1549 0.0854 0.4147 0.073 Uiso 1 1 calc R U . . .
C18 C -0.1640(6) 0.2619(6) 0.4638(3) 0.0652(15) Uani 1 1 d . . . . .
H18 H -0.2351 0.2404 0.4934 0.078 Uiso 1 1 calc R U . . .
C19 C -0.1064(5) 0.3876(6) 0.4660(3) 0.0634(15) Uani 1 1 d . . . . .
H19 H -0.1405 0.4515 0.4964 0.076 Uiso 1 1 calc R U . . .
C20 C 0.0005(5) 0.4189(5) 0.4237(3) 0.0543(12) Uani 1 1 d . . . . .
H20 H 0.0380 0.5040 0.4256 0.065 Uiso 1 1 calc R U . . .
C21 C 0.1408(5) 0.4837(4) 0.2847(2) 0.0444(11) Uani 1 1 d . . . . .
C22 C 0.0257(5) 0.4931(5) 0.2243(3) 0.0514(12) Uani 1 1 d . . . . .
H22 H -0.0387 0.4229 0.2136 0.062 Uiso 1 1 calc R U . . .
C23 C 0.0056(5) 0.6053(5) 0.1798(3) 0.0535(12) Uani 1 1 d . . . . .
H23 H -0.0713 0.6079 0.1388 0.064 Uiso 1 1 calc R U . . .
C24 C 0.0957(5) 0.7144(5) 0.1938(3) 0.0476(12) Uani 1 1 d . . . . .
C25 C 0.2064(5) 0.7056(5) 0.2574(3) 0.0561(13) Uani 1 1 d . . . . .
H25 H 0.2670 0.7777 0.2706 0.067 Uiso 1 1 calc R U . . .
C26 C 0.2283(5) 0.5931(5) 0.3011(3) 0.0513(12) Uani 1 1 d . . . . .
H26 H 0.3041 0.5907 0.3426 0.062 Uiso 1 1 calc R U . . .
C27 C 0.0718(7) 1.0150(6) 0.1873(4) 0.088(2) Uani 1 1 d . . . . .
H27A H 0.0722 1.0906 0.1547 0.132 Uiso 1 1 calc R U . . .
H27B H 0.1549 1.0185 0.2276 0.132 Uiso 1 1 calc R U . . .
H27C H -0.0163 1.0144 0.2094 0.132 Uiso 1 1 calc R U . . .
C28 C -0.0902(6) 0.8528(8) 0.0565(3) 0.100(2) Uani 1 1 d . . . . .
H28A H -0.1034 0.9337 0.0282 0.150 Uiso 1 1 calc R U . . .
H28B H -0.1727 0.8379 0.0820 0.150 Uiso 1 1 calc R U . . .
H28C H -0.0816 0.7814 0.0219 0.150 Uiso 1 1 calc R U . . .
C29 C 0.2952(8) 1.0147(6) 0.0102(4) 0.094(2) Uani 1 1 d . . . . .
H29A H 0.3776 1.0123 -0.0164 0.141 Uiso 1 1 calc R U . . .
H29B H 0.3022 1.0908 0.0429 0.141 Uiso 1 1 calc R U . . .
H29C H 0.2066 1.0191 -0.0263 0.141 Uiso 1 1 calc R U . . .
C30 C 0.2909(8) 0.7128(7) 0.0084(4) 0.101(2) Uani 1 1 d . . . . .
H30A H 0.2095 0.7175 -0.0328 0.152 Uiso 1 1 calc R U . . .
H30B H 0.2815 0.6359 0.0389 0.152 Uiso 1 1 calc R U . . .
H30C H 0.3802 0.7077 -0.0125 0.152 Uiso 1 1 calc R U . . .
C31 C 0.4621(5) 0.8628(5) 0.1431(3) 0.0567(11) Uani 1 1 d . . . . .
C32 C 0.5324(6) 0.9784(5) 0.1711(4) 0.0682(15) Uani 1 1 d . . . . .
H32 H 0.4966 1.0582 0.1502 0.082 Uiso 1 1 calc R U . . .
C33 C 0.6531(7) 0.9795(6) 0.2285(4) 0.0819(19) Uani 1 1 d . . . . .
H33 H 0.6975 1.0587 0.2453 0.098 Uiso 1 1 calc R U . . .
C34 C 0.7070(5) 0.8625(7) 0.2606(3) 0.0690(13) Uani 1 1 d . . . . .
C35 C 0.6420(6) 0.7465(6) 0.2354(3) 0.0683(16) Uani 1 1 d . . . . .
H35 H 0.6778 0.6672 0.2570 0.082 Uiso 1 1 calc R U . . .
C36 C 0.5228(6) 0.7481(5) 0.1776(3) 0.0697(16) Uani 1 1 d . . . . .
H36 H 0.4806 0.6681 0.1608 0.084 Uiso 1 1 calc R U . . .
C37 C 0.8836(7) 0.7573(7) 0.3550(4) 0.095(2) Uani 1 1 d . . . . .
H37A H 0.8118 0.7171 0.3811 0.142 Uiso 1 1 calc R U . . .
H37B H 0.9686 0.7791 0.3916 0.142 Uiso 1 1 calc R U . . .
H37C H 0.9103 0.6971 0.3177 0.142 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 Si2 2.386(2) . ?
Si1 C24 1.878(5) . ?
Si1 C27 1.855(6) . ?
Si1 C28 1.882(5) . ?
Si2 C29 1.866(6) . ?
Si2 C30 1.870(7) . ?
Si2 C31 1.860(5) . ?
O1 C34 1.366(6) . ?
O1 C37 1.413(7) . ?
C1 C2 1.342(6) . ?
C1 C3 1.499(6) . ?
C1 C9 1.491(6) . ?
C2 C15 1.493(6) . ?
C2 C21 1.498(6) . ?
C3 C4 1.377(6) . ?
C3 C8 1.387(6) . ?
C4 H4 0.9300 . ?
C4 C5 1.391(7) . ?
C5 H5 0.9300 . ?
C5 C6 1.372(7) . ?
C6 H6 0.9300 . ?
C6 C7 1.359(7) . ?
C7 H7 0.9300 . ?
C7 C8 1.369(6) . ?
C8 H8 0.9300 . ?
C9 C10 1.381(6) . ?
C9 C14 1.385(6) . ?
C10 H10 0.9300 . ?
C10 C11 1.378(7) . ?
C11 H11 0.9300 . ?
C11 C12 1.375(8) . ?
C12 H12 0.9300 . ?
C12 C13 1.362(7) . ?
C13 H13 0.9300 . ?
C13 C14 1.381(6) . ?
C14 H14 0.9300 . ?
C15 C16 1.383(6) . ?
C15 C20 1.386(6) . ?
C16 H16 0.9300 . ?
C16 C17 1.378(7) . ?
C17 H17 0.9300 . ?
C17 C18 1.368(7) . ?
C18 H18 0.9300 . ?
C18 C19 1.382(8) . ?
C19 H19 0.9300 . ?
C19 C20 1.371(7) . ?
C20 H20 0.9300 . ?
C21 C22 1.384(6) . ?
C21 C26 1.378(6) . ?
C22 H22 0.9300 . ?
C22 C23 1.381(6) . ?
C23 H23 0.9300 . ?
C23 C24 1.385(6) . ?
C24 C25 1.396(6) . ?
C25 H25 0.9300 . ?
C25 C26 1.375(6) . ?
C26 H26 0.9300 . ?
C27 H27A 0.9600 . ?
C27 H27B 0.9600 . ?
C27 H27C 0.9600 . ?
C28 H28A 0.9600 . ?
C28 H28B 0.9600 . ?
C28 H28C 0.9600 . ?
C29 H29A 0.9600 . ?
C29 H29B 0.9600 . ?
C29 H29C 0.9600 . ?
C30 H30A 0.9600 . ?
C30 H30B 0.9600 . ?
C30 H30C 0.9600 . ?
C31 C32 1.394(7) . ?
C31 C36 1.391(7) . ?
C32 H32 0.9300 . ?
C32 C33 1.383(8) . ?
C33 H33 0.9300 . ?
C33 C34 1.376(8) . ?
C34 C35 1.365(8) . ?
C35 H35 0.9300 . ?
C35 C36 1.376(7) . ?
C36 H36 0.9300 . ?
C37 H37A 0.9600 . ?
C37 H37B 0.9600 . ?
C37 H37C 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
C24 Si1 Si2 106.39(16) . . ?
C24 Si1 C28 109.9(3) . . ?
C27 Si1 Si2 110.9(2) . . ?
C27 Si1 C24 110.3(2) . . ?
C27 Si1 C28 108.4(3) . . ?
C28 Si1 Si2 111.0(2) . . ?
C29 Si2 Si1 109.4(2) . . ?
C29 Si2 C30 110.4(3) . . ?
C30 Si2 Si1 108.8(2) . . ?
C31 Si2 Si1 110.52(15) . . ?
C31 Si2 C29 108.2(3) . . ?
C31 Si2 C30 109.5(3) . . ?
C34 O1 C37 118.7(5) . . ?
C2 C1 C3 121.6(4) . . ?
C2 C1 C9 124.6(4) . . ?
C9 C1 C3 113.8(4) . . ?
C1 C2 C15 123.8(4) . . ?
C1 C2 C21 120.7(4) . . ?
C15 C2 C21 115.5(4) . . ?
C4 C3 C1 122.7(4) . . ?
C4 C3 C8 117.3(4) . . ?
C8 C3 C1 120.0(4) . . ?
C3 C4 H4 119.4 . . ?
C3 C4 C5 121.2(4) . . ?
C5 C4 H4 119.4 . . ?
C4 C5 H5 120.2 . . ?
C6 C5 C4 119.6(5) . . ?
C6 C5 H5 120.2 . . ?
C5 C6 H6 120.0 . . ?
C7 C6 C5 120.0(5) . . ?
C7 C6 H6 120.0 . . ?
C6 C7 H7 119.9 . . ?
C6 C7 C8 120.2(5) . . ?
C8 C7 H7 119.9 . . ?
C3 C8 H8 119.1 . . ?
C7 C8 C3 121.7(5) . . ?
C7 C8 H8 119.1 . . ?
C10 C9 C1 121.3(4) . . ?
C10 C9 C14 117.5(4) . . ?
C14 C9 C1 120.9(4) . . ?
C9 C10 H10 119.2 . . ?
C11 C10 C9 121.6(5) . . ?
C11 C10 H10 119.2 . . ?
C10 C11 H11 120.2 . . ?
C12 C11 C10 119.7(5) . . ?
C12 C11 H11 120.2 . . ?
C11 C12 H12 120.0 . . ?
C13 C12 C11 119.9(5) . . ?
C13 C12 H12 120.0 . . ?
C12 C13 H13 119.9 . . ?
C12 C13 C14 120.2(5) . . ?
C14 C13 H13 119.9 . . ?
C9 C14 H14 119.4 . . ?
C13 C14 C9 121.1(5) . . ?
C13 C14 H14 119.4 . . ?
C16 C15 C2 121.7(4) . . ?
C16 C15 C20 118.1(4) . . ?
C20 C15 C2 120.2(4) . . ?
C15 C16 H16 119.5 . . ?
C17 C16 C15 121.0(5) . . ?
C17 C16 H16 119.5 . . ?
C16 C17 H17 119.8 . . ?
C18 C17 C16 120.4(5) . . ?
C18 C17 H17 119.8 . . ?
C17 C18 H18 120.5 . . ?
C17 C18 C19 119.1(5) . . ?
C19 C18 H18 120.5 . . ?
C18 C19 H19 119.7 . . ?
C20 C19 C18 120.6(5) . . ?
C20 C19 H19 119.7 . . ?
C15 C20 H20 119.6 . . ?
C19 C20 C15 120.7(5) . . ?
C19 C20 H20 119.6 . . ?
C22 C21 C2 121.8(4) . . ?
C26 C21 C2 120.8(4) . . ?
C26 C21 C22 117.4(4) . . ?
C21 C22 H22 119.6 . . ?
C23 C22 C21 120.8(4) . . ?
C23 C22 H22 119.6 . . ?
C22 C23 H23 118.8 . . ?
C22 C23 C24 122.4(4) . . ?
C24 C23 H23 118.8 . . ?
C23 C24 Si1 123.6(3) . . ?
C23 C24 C25 115.9(4) . . ?
C25 C24 Si1 120.5(4) . . ?
C24 C25 H25 119.1 . . ?
C26 C25 C24 121.8(4) . . ?
C26 C25 H25 119.1 . . ?
C21 C26 H26 119.2 . . ?
C25 C26 C21 121.6(4) . . ?
C25 C26 H26 119.2 . . ?
Si1 C27 H27A 109.5 . . ?
Si1 C27 H27B 109.5 . . ?
Si1 C27 H27C 109.5 . . ?
H27A C27 H27B 109.5 . . ?
H27A C27 H27C 109.5 . . ?
H27B C27 H27C 109.5 . . ?
Si1 C28 H28A 109.5 . . ?
Si1 C28 H28B 109.5 . . ?
Si1 C28 H28C 109.5 . . ?
H28A C28 H28B 109.5 . . ?
H28A C28 H28C 109.5 . . ?
H28B C28 H28C 109.5 . . ?
Si2 C29 H29A 109.5 . . ?
Si2 C29 H29B 109.5 . . ?
Si2 C29 H29C 109.5 . . ?
H29A C29 H29B 109.5 . . ?
H29A C29 H29C 109.5 . . ?
H29B C29 H29C 109.5 . . ?
Si2 C30 H30A 109.5 . . ?
Si2 C30 H30B 109.5 . . ?
Si2 C30 H30C 109.5 . . ?
H30A C30 H30B 109.5 . . ?
H30A C30 H30C 109.5 . . ?
H30B C30 H30C 109.5 . . ?
C32 C31 Si2 122.5(4) . . ?
C36 C31 Si2 122.7(4) . . ?
C36 C31 C32 114.7(4) . . ?
C31 C32 H32 118.5 . . ?
C33 C32 C31 122.9(5) . . ?
C33 C32 H32 118.5 . . ?
C32 C33 H33 120.3 . . ?
C34 C33 C32 119.4(5) . . ?
C34 C33 H33 120.3 . . ?
O1 C34 C33 115.4(6) . . ?
C35 C34 O1 124.6(6) . . ?
C35 C34 C33 120.0(5) . . ?
C34 C35 H35 120.3 . . ?
C34 C35 C36 119.4(5) . . ?
C36 C35 H35 120.3 . . ?
C31 C36 H36 118.2 . . ?
C35 C36 C31 123.6(5) . . ?
C35 C36 H36 118.2 . . ?
O1 C37 H37A 109.5 . . ?
O1 C37 H37B 109.5 . . ?
O1 C37 H37C 109.5 . . ?
H37A C37 H37B 109.5 . . ?
H37A C37 H37C 109.5 . . ?
H37B C37 H37C 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
Si1 Si2 C31 C32 -91.9(4) . . . . ?
Si1 Si2 C31 C36 84.3(4) . . . . ?
Si1 C24 C25 C26 -173.8(4) . . . . ?
Si2 Si1 C24 C23 -110.6(4) . . . . ?
Si2 Si1 C24 C25 65.8(4) . . . . ?
Si2 C31 C32 C33 176.5(4) . . . . ?
Si2 C31 C36 C35 -175.9(5) . . . . ?
O1 C34 C35 C36 179.5(5) . . . . ?
C1 C2 C15 C16 -52.6(6) . . . . ?
C1 C2 C15 C20 129.1(5) . . . . ?
C1 C2 C21 C22 116.5(5) . . . . ?
C1 C2 C21 C26 -64.5(6) . . . . ?
C1 C3 C4 C5 -179.2(4) . . . . ?
C1 C3 C8 C7 -179.9(5) . . . . ?
C1 C9 C10 C11 172.9(5) . . . . ?
C1 C9 C14 C13 -172.5(4) . . . . ?
C2 C1 C3 C4 -51.6(6) . . . . ?
C2 C1 C3 C8 130.0(5) . . . . ?
C2 C1 C9 C10 140.4(5) . . . . ?
C2 C1 C9 C14 -45.6(6) . . . . ?
C2 C15 C16 C17 -179.0(4) . . . . ?
C2 C15 C20 C19 179.5(4) . . . . ?
C2 C21 C22 C23 -177.3(4) . . . . ?
C2 C21 C26 C25 178.4(4) . . . . ?
C3 C1 C2 C15 172.6(4) . . . . ?
C3 C1 C2 C21 -9.5(6) . . . . ?
C3 C1 C9 C10 -42.6(6) . . . . ?
C3 C1 C9 C14 131.4(4) . . . . ?
C3 C4 C5 C6 -0.5(8) . . . . ?
C4 C3 C8 C7 1.6(7) . . . . ?
C4 C5 C6 C7 0.9(10) . . . . ?
C5 C6 C7 C8 -0.1(10) . . . . ?
C6 C7 C8 C3 -1.3(9) . . . . ?
C8 C3 C4 C5 -0.7(7) . . . . ?
C9 C1 C2 C15 -10.7(7) . . . . ?
C9 C1 C2 C21 167.3(4) . . . . ?
C9 C1 C3 C4 131.3(4) . . . . ?
C9 C1 C3 C8 -47.1(5) . . . . ?
C9 C10 C11 C12 -0.4(9) . . . . ?
C10 C9 C14 C13 1.8(6) . . . . ?
C10 C11 C12 C13 1.6(9) . . . . ?
C11 C12 C13 C14 -1.1(8) . . . . ?
C12 C13 C14 C9 -0.6(7) . . . . ?
C14 C9 C10 C11 -1.3(7) . . . . ?
C15 C2 C21 C22 -65.4(5) . . . . ?
C15 C2 C21 C26 113.6(5) . . . . ?
C15 C16 C17 C18 -0.8(7) . . . . ?
C16 C15 C20 C19 1.1(7) . . . . ?
C16 C17 C18 C19 1.8(8) . . . . ?
C17 C18 C19 C20 -1.3(8) . . . . ?
C18 C19 C20 C15 -0.1(8) . . . . ?
C20 C15 C16 C17 -0.7(7) . . . . ?
C21 C2 C15 C16 129.3(4) . . . . ?
C21 C2 C15 C20 -49.0(5) . . . . ?
C21 C22 C23 C24 -1.5(7) . . . . ?
C22 C21 C26 C25 -2.5(7) . . . . ?
C22 C23 C24 Si1 174.9(4) . . . . ?
C22 C23 C24 C25 -1.7(7) . . . . ?
C23 C24 C25 C26 2.9(7) . . . . ?
C24 C25 C26 C21 -0.8(8) . . . . ?
C26 C21 C22 C23 3.6(7) . . . . ?
C27 Si1 C24 C23 129.0(5) . . . . ?
C27 Si1 C24 C25 -54.5(4) . . . . ?
C28 Si1 C24 C23 9.6(5) . . . . ?
C28 Si1 C24 C25 -173.9(4) . . . . ?
C29 Si2 C31 C32 27.8(5) . . . . ?
C29 Si2 C31 C36 -156.0(4) . . . . ?
C30 Si2 C31 C32 148.2(5) . . . . ?
C30 Si2 C31 C36 -35.6(5) . . . . ?
C31 C32 C33 C34 -0.5(9) . . . . ?
C32 C31 C36 C35 0.6(7) . . . . ?
C32 C33 C34 O1 -179.0(5) . . . . ?
C32 C33 C34 C35 0.4(9) . . . . ?
C33 C34 C35 C36 0.2(8) . . . . ?
C34 C35 C36 C31 -0.8(9) . . . . ?
C36 C31 C32 C33 0.0(8) . . . . ?
C37 O1 C34 C33 178.1(6) . . . . ?
C37 O1 C34 C35 -1.2(8) . . . . ?

_olex2_submission_special_instructions 'No special instructions were received'
####################################################################### 
# 
# 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_mo191215a
_database_code_depnum_ccdc_archive 'CCDC 2061564'
loop_
_audit_author_name
_audit_author_address
'Zhikuan Zhou'
;Hangzhou Normal University
China
;
_audit_update_record             
;
2021-02-07 deposited with the CCDC.	2021-04-28 downloaded from the CCDC.
;
_audit_creation_date             2019-12-16
_audit_creation_method           
;
Olex2 1.2
(compiled 2018.05.29 svn.r3508 for OlexSys, GUI svn.r5506)
;
_shelx_SHELXL_version_number     2014/7
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C42 H40 O Si2'
_chemical_formula_sum            'C42 H40 O Si2'
_chemical_formula_weight         616.92
_chemical_melting_point          ?
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'
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'

_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.
;
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_H-M_alt        'P 1 21/c 1'
_space_group_name_Hall           '-P 2ybc'
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                   15.375(11)
_cell_length_b                   10.245(7)
_cell_length_c                   24.152(17)
_cell_angle_alpha                90
_cell_angle_beta                 106.812(15)
_cell_angle_gamma                90
_cell_volume                     3642(4)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    3428
_cell_measurement_temperature    296.15
_cell_measurement_theta_max      21.26
_cell_measurement_theta_min      2.17
_shelx_estimated_absorpt_T_max   0.985
_shelx_estimated_absorpt_T_min   0.981
_exptl_absorpt_coefficient_mu    0.127
_exptl_absorpt_correction_T_max  1.0000
_exptl_absorpt_correction_T_min  0.8386
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
'SADABS-2016/2 (Bruker,2016/2) was used for absorption correction. wR2(int) was 0.0762 before and 0.0653 after correction. The Ratio of minimum to maximum transmission is 0.8386. The λ/2 correction factor is 0.00150.'
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            colourless
_exptl_crystal_colour_primary    colourless
_exptl_crystal_density_diffrn    1.125
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             1312
_exptl_crystal_size_max          0.15
_exptl_crystal_size_mid          0.15
_exptl_crystal_size_min          0.12
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0740
_diffrn_reflns_av_unetI/netI     0.0838
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 0.988
_diffrn_reflns_limit_h_max       20
_diffrn_reflns_limit_h_min       -20
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       32
_diffrn_reflns_limit_l_min       -32
_diffrn_reflns_number            29569
_diffrn_reflns_point_group_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 0.988
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         28.460
_diffrn_reflns_theta_min         1.384
_diffrn_ambient_temperature      296.15
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 0.988
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   ?
_diffrn_standards_number         0
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                4320
_reflns_number_total             9093
_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.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       'SAINT V8.38A (?, 2016)'
_computing_data_collection       ?
_computing_data_reduction        'SAINT V8.38A (?, 2016)'
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'XL (Sheldrick, 2008)'
_computing_structure_solution    'XT (Sheldrick, 2015)'
_refine_diff_density_max         0.314
_refine_diff_density_min         -0.234
_refine_diff_density_rms         0.038
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.004
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     410
_refine_ls_number_reflns         9093
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.1463
_refine_ls_R_factor_gt           0.0605
_refine_ls_restrained_S_all      1.004
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0603P)²+0.5406P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1341
_refine_ls_wR_factor_ref         0.1712
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2.a Aromatic/amide H refined with riding coordinates:
 C2(H2), C3(H3), C4(H4), C5(H5), C6(H6), C8(H8), C9(H9), C10(H10), C11(H11),
 C12(H12), C16(H16), C17(H17), C18(H18), C19(H19), C20(H20), C22(H22), C23(H23),
  C25(H25), C26(H26), C32(H32), C33(H33), C35(H35), C36(H36), C38(H38),
 C39(H39), C40(H40), C41(H41), C42(H42)
2.b Idealised Me refined as rotating group:
 C27(H27A,H27B,H27C), C28(H28A,H28B,H28C), C29(H29A,H29B,H29C), C30(H30A,H30B,
 H30C)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     dual
_atom_sites_solution_secondary   ?
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 0.55330(5) 0.21294(7) 0.41953(3) 0.0615(2) Uani 1 1 d . . . . .
Si2 Si 0.49948(5) 0.30947(8) 0.32799(3) 0.0681(3) Uani 1 1 d . . . . .
O1 O 0.38528(14) 0.8584(2) 0.36718(12) 0.1017(8) Uani 1 1 d . . . . .
C1 C 0.98627(15) 0.7352(2) 0.57000(9) 0.0465(6) Uani 1 1 d . . . . .
C2 C 1.05302(16) 0.6760(3) 0.61401(10) 0.0565(6) Uani 1 1 d . . . . .
H2 H 1.0462 0.5890 0.6230 0.068 Uiso 1 1 calc R . . . .
C3 C 1.12945(18) 0.7436(3) 0.64480(12) 0.0681(8) Uani 1 1 d . . . . .
H3 H 1.1732 0.7019 0.6743 0.082 Uiso 1 1 calc R . . . .
C4 C 1.1413(2) 0.8711(3) 0.63230(13) 0.0721(8) Uani 1 1 d . . . . .
H4 H 1.1923 0.9167 0.6535 0.087 Uiso 1 1 calc R . . . .
C5 C 1.0777(2) 0.9306(3) 0.58857(13) 0.0728(8) Uani 1 1 d . . . . .
H5 H 1.0858 1.0173 0.5796 0.087 Uiso 1 1 calc R . . . .
C6 C 1.00111(19) 0.8637(3) 0.55719(11) 0.0614(7) Uani 1 1 d . . . . .
H6 H 0.9589 0.9056 0.5270 0.074 Uiso 1 1 calc R . . . .
C7 C 0.87344(15) 0.6909(2) 0.47237(9) 0.0458(6) Uani 1 1 d . . . . .
C8 C 0.93183(16) 0.6763(2) 0.43835(10) 0.0525(6) Uani 1 1 d . . . . .
H8 H 0.9916 0.6508 0.4556 0.063 Uiso 1 1 calc R . . . .
C9 C 0.90289(18) 0.6991(3) 0.37927(11) 0.0624(7) Uani 1 1 d . . . . .
H9 H 0.9428 0.6883 0.3571 0.075 Uiso 1 1 calc R . . . .
C10 C 0.81531(19) 0.7374(3) 0.35372(11) 0.0674(8) Uani 1 1 d . . . . .
H10 H 0.7950 0.7505 0.3139 0.081 Uiso 1 1 calc R . . . .
C11 C 0.75726(18) 0.7566(3) 0.38692(11) 0.0703(8) Uani 1 1 d . . . . .
H11 H 0.6983 0.7855 0.3697 0.084 Uiso 1 1 calc R . . . .
C12 C 0.78636(17) 0.7330(3) 0.44577(11) 0.0629(7) Uani 1 1 d . . . . .
H12 H 0.7464 0.7459 0.4678 0.075 Uiso 1 1 calc R . . . .
C13 C 0.90337(15) 0.6643(2) 0.53623(9) 0.0456(5) Uani 1 1 d . . . . .
C14 C 0.85570(15) 0.5823(2) 0.56058(9) 0.0471(6) Uani 1 1 d . . . . .
C15 C 0.87154(15) 0.5723(3) 0.62453(9) 0.0492(6) Uani 1 1 d . . . . .
C16 C 0.88454(16) 0.4527(3) 0.65194(11) 0.0601(7) Uani 1 1 d . . . . .
H16 H 0.8843 0.3768 0.6308 0.072 Uiso 1 1 calc R . . . .
C17 C 0.89810(17) 0.4460(4) 0.71179(13) 0.0737(9) Uani 1 1 d . . . . .
H17 H 0.9087 0.3657 0.7306 0.088 Uiso 1 1 calc R . . . .
C18 C 0.8957(2) 0.5571(4) 0.74266(13) 0.0845(10) Uani 1 1 d . . . . .
H18 H 0.9040 0.5519 0.7823 0.101 Uiso 1 1 calc R . . . .
C19 C 0.8815(2) 0.6746(4) 0.71600(12) 0.0832(10) Uani 1 1 d . . . . .
H19 H 0.8799 0.7498 0.7372 0.100 Uiso 1 1 calc R . . . .
C20 C 0.86948(19) 0.6826(3) 0.65723(11) 0.0672(8) Uani 1 1 d . . . . .
H20 H 0.8598 0.7637 0.6392 0.081 Uiso 1 1 calc R . . . .
C21 C 0.78262(15) 0.4956(2) 0.52606(9) 0.0448(5) Uani 1 1 d . . . . .
C22 C 0.79590(16) 0.4130(2) 0.48359(10) 0.0523(6) Uani 1 1 d . . . . .
H22 H 0.8511 0.4143 0.4751 0.063 Uiso 1 1 calc R . . . .
C23 C 0.72872(16) 0.3294(3) 0.45407(10) 0.0542(6) Uani 1 1 d . . . . .
H23 H 0.7403 0.2744 0.4264 0.065 Uiso 1 1 calc R . . . .
C24 C 0.64364(15) 0.3238(2) 0.46388(10) 0.0498(6) Uani 1 1 d . . . . .
C25 C 0.63108(16) 0.4077(3) 0.50649(10) 0.0554(6) Uani 1 1 d . . . . .
H25 H 0.5753 0.4083 0.5144 0.066 Uiso 1 1 calc R . . . .
C26 C 0.69891(16) 0.4895(2) 0.53713(10) 0.0522(6) Uani 1 1 d . . . . .
H26 H 0.6885 0.5421 0.5660 0.063 Uiso 1 1 calc R . . . .
C27 C 0.6056(2) 0.0515(3) 0.41241(17) 0.0965(11) Uani 1 1 d . . . . .
H27A H 0.6576 0.0644 0.3986 0.145 Uiso 1 1 calc GR . . . .
H27B H 0.5619 -0.0021 0.3855 0.145 Uiso 1 1 calc GR . . . .
H27C H 0.6241 0.0092 0.4494 0.145 Uiso 1 1 calc GR . . . .
C28 C 0.4611(2) 0.1912(3) 0.45529(15) 0.0938(10) Uani 1 1 d . . . . .
H28A H 0.4867 0.1571 0.4936 0.141 Uiso 1 1 calc GR . . . .
H28B H 0.4164 0.1315 0.4331 0.141 Uiso 1 1 calc GR . . . .
H28C H 0.4330 0.2740 0.4575 0.141 Uiso 1 1 calc GR . . . .
C29 C 0.5945(2) 0.3209(4) 0.29368(15) 0.1045(12) Uani 1 1 d . . . . .
H29A H 0.5718 0.3568 0.2555 0.157 Uiso 1 1 calc GR . . . .
H29B H 0.6187 0.2354 0.2913 0.157 Uiso 1 1 calc GR . . . .
H29C H 0.6416 0.3763 0.3167 0.157 Uiso 1 1 calc GR . . . .
C30 C 0.4029(2) 0.2138(4) 0.28083(17) 0.1229(15) Uani 1 1 d . . . . .
H30A H 0.3561 0.2051 0.2996 0.184 Uiso 1 1 calc GR . . . .
H30B H 0.4239 0.1288 0.2740 0.184 Uiso 1 1 calc GR . . . .
H30C H 0.3790 0.2584 0.2446 0.184 Uiso 1 1 calc GR . . . .
C31 C 0.46054(17) 0.4773(3) 0.33811(10) 0.0572(6) Uani 1 1 d . . . . .
C32 C 0.52269(18) 0.5742(3) 0.36488(12) 0.0683(7) Uani 1 1 d . . . . .
H32 H 0.5842 0.5538 0.3767 0.082 Uiso 1 1 calc R . . . .
C33 C 0.49644(18) 0.6980(3) 0.37437(13) 0.0720(8) Uani 1 1 d . . . . .
H33 H 0.5397 0.7598 0.3923 0.086 Uiso 1 1 calc R . . . .
C34 C 0.40610(18) 0.7302(3) 0.35728(13) 0.0653(7) Uani 1 1 d . . . . .
C35 C 0.34243(18) 0.6393(3) 0.33143(13) 0.0693(8) Uani 1 1 d . . . . .
H35 H 0.2810 0.6607 0.3202 0.083 Uiso 1 1 calc R . . . .
C36 C 0.37026(18) 0.5153(3) 0.32218(12) 0.0664(7) Uani 1 1 d . . . . .
H36 H 0.3263 0.4543 0.3044 0.080 Uiso 1 1 calc R . . . .
C37 C 0.2946(2) 0.8883(3) 0.36026(16) 0.0766(9) Uani 1 1 d . . . . .
C38 C 0.2614(3) 0.8816(3) 0.40677(17) 0.0957(10) Uani 1 1 d . . . . .
H38 H 0.2989 0.8541 0.4424 0.115 Uiso 1 1 calc R . . . .
C39 C 0.1732(3) 0.9151(4) 0.4012(2) 0.1139(13) Uani 1 1 d . . . . .
H39 H 0.1508 0.9119 0.4331 0.137 Uiso 1 1 calc R . . . .
C40 C 0.1193(3) 0.9526(4) 0.3494(3) 0.1150(14) Uani 1 1 d . . . . .
H40 H 0.0592 0.9750 0.3457 0.138 Uiso 1 1 calc R . . . .
C41 C 0.1504(3) 0.9587(4) 0.3028(2) 0.1130(13) Uani 1 1 d . . . . .
H41 H 0.1115 0.9836 0.2672 0.136 Uiso 1 1 calc R . . . .
C42 C 0.2404(3) 0.9279(3) 0.30762(16) 0.0958(10) Uani 1 1 d . . . . .
H42 H 0.2630 0.9342 0.2759 0.115 Uiso 1 1 calc R . . . .


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Si1 Si2 2.3435(17) . ?
Si1 C24 1.873(3) . ?
Si1 C27 1.869(3) . ?
Si1 C28 1.874(3) . ?
Si2 C29 1.880(3) . ?
Si2 C30 1.867(3) . ?
Si2 C31 1.860(3) . ?
O1 C34 1.388(3) . ?
O1 C37 1.389(4) . ?
C1 C2 1.386(3) . ?
C1 C6 1.386(4) . ?
C1 C13 1.489(3) . ?
C2 H2 0.9300 . ?
C2 C3 1.381(4) . ?
C3 H3 0.9300 . ?
C3 C4 1.364(4) . ?
C4 H4 0.9300 . ?
C4 C5 1.359(4) . ?
C5 H5 0.9300 . ?
C5 C6 1.384(4) . ?
C6 H6 0.9300 . ?
C7 C8 1.389(3) . ?
C7 C12 1.376(3) . ?
C7 C13 1.501(3) . ?
C8 H8 0.9300 . ?
C8 C9 1.386(3) . ?
C9 H9 0.9300 . ?
C9 C10 1.367(4) . ?
C10 H10 0.9300 . ?
C10 C11 1.376(4) . ?
C11 H11 0.9300 . ?
C11 C12 1.382(4) . ?
C12 H12 0.9300 . ?
C13 C14 1.356(3) . ?
C14 C15 1.496(3) . ?
C14 C21 1.485(3) . ?
C15 C16 1.379(4) . ?
C15 C20 1.384(4) . ?
C16 H16 0.9300 . ?
C16 C17 1.401(4) . ?
C17 H17 0.9300 . ?
C17 C18 1.367(5) . ?
C18 H18 0.9300 . ?
C18 C19 1.353(5) . ?
C19 H19 0.9300 . ?
C19 C20 1.380(4) . ?
C20 H20 0.9300 . ?
C21 C22 1.390(3) . ?
C21 C26 1.389(3) . ?
C22 H22 0.9300 . ?
C22 C23 1.372(3) . ?
C23 H23 0.9300 . ?
C23 C24 1.396(3) . ?
C24 C25 1.396(3) . ?
C25 H25 0.9300 . ?
C25 C26 1.375(3) . ?
C26 H26 0.9300 . ?
C27 H27A 0.9600 . ?
C27 H27B 0.9600 . ?
C27 H27C 0.9600 . ?
C28 H28A 0.9600 . ?
C28 H28B 0.9600 . ?
C28 H28C 0.9600 . ?
C29 H29A 0.9600 . ?
C29 H29B 0.9600 . ?
C29 H29C 0.9600 . ?
C30 H30A 0.9600 . ?
C30 H30B 0.9600 . ?
C30 H30C 0.9600 . ?
C31 C32 1.400(4) . ?
C31 C36 1.385(4) . ?
C32 H32 0.9300 . ?
C32 C33 1.370(4) . ?
C33 H33 0.9300 . ?
C33 C34 1.370(4) . ?
C34 C35 1.364(4) . ?
C35 H35 0.9300 . ?
C35 C36 1.380(4) . ?
C36 H36 0.9300 . ?
C37 C38 1.364(5) . ?
C37 C42 1.365(4) . ?
C38 H38 0.9300 . ?
C38 C39 1.368(5) . ?
C39 H39 0.9300 . ?
C39 C40 1.341(6) . ?
C40 H40 0.9300 . ?
C40 C41 1.346(6) . ?
C41 H41 0.9300 . ?
C41 C42 1.391(5) . ?
C42 H42 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
C24 Si1 Si2 106.54(9) . . ?
C24 Si1 C28 110.06(14) . . ?
C27 Si1 Si2 109.31(13) . . ?
C27 Si1 C24 108.79(14) . . ?
C27 Si1 C28 109.88(17) . . ?
C28 Si1 Si2 112.16(13) . . ?
C29 Si2 Si1 109.55(12) . . ?
C30 Si2 Si1 110.84(15) . . ?
C30 Si2 C29 110.25(19) . . ?
C31 Si2 Si1 107.78(9) . . ?
C31 Si2 C29 108.74(15) . . ?
C31 Si2 C30 109.62(15) . . ?
C34 O1 C37 117.5(2) . . ?
C2 C1 C13 122.2(2) . . ?
C6 C1 C2 117.0(2) . . ?
C6 C1 C13 120.7(2) . . ?
C1 C2 H2 119.4 . . ?
C3 C2 C1 121.3(3) . . ?
C3 C2 H2 119.4 . . ?
C2 C3 H3 119.7 . . ?
C4 C3 C2 120.5(3) . . ?
C4 C3 H3 119.7 . . ?
C3 C4 H4 120.3 . . ?
C5 C4 C3 119.3(3) . . ?
C5 C4 H4 120.3 . . ?
C4 C5 H5 119.7 . . ?
C4 C5 C6 120.7(3) . . ?
C6 C5 H5 119.7 . . ?
C1 C6 H6 119.4 . . ?
C5 C6 C1 121.2(3) . . ?
C5 C6 H6 119.4 . . ?
C8 C7 C13 122.0(2) . . ?
C12 C7 C8 117.7(2) . . ?
C12 C7 C13 120.3(2) . . ?
C7 C8 H8 119.3 . . ?
C9 C8 C7 121.4(2) . . ?
C9 C8 H8 119.3 . . ?
C8 C9 H9 120.2 . . ?
C10 C9 C8 119.6(2) . . ?
C10 C9 H9 120.2 . . ?
C9 C10 H10 120.0 . . ?
C9 C10 C11 119.9(2) . . ?
C11 C10 H10 120.0 . . ?
C10 C11 H11 119.9 . . ?
C10 C11 C12 120.2(3) . . ?
C12 C11 H11 119.9 . . ?
C7 C12 C11 121.1(2) . . ?
C7 C12 H12 119.4 . . ?
C11 C12 H12 119.4 . . ?
C1 C13 C7 115.72(19) . . ?
C14 C13 C1 123.3(2) . . ?
C14 C13 C7 121.0(2) . . ?
C13 C14 C15 122.9(2) . . ?
C13 C14 C21 122.9(2) . . ?
C21 C14 C15 114.18(19) . . ?
C16 C15 C14 120.9(2) . . ?
C16 C15 C20 118.4(2) . . ?
C20 C15 C14 120.6(2) . . ?
C15 C16 H16 120.1 . . ?
C15 C16 C17 119.8(3) . . ?
C17 C16 H16 120.1 . . ?
C16 C17 H17 119.9 . . ?
C18 C17 C16 120.1(3) . . ?
C18 C17 H17 119.9 . . ?
C17 C18 H18 119.7 . . ?
C19 C18 C17 120.5(3) . . ?
C19 C18 H18 119.7 . . ?
C18 C19 H19 120.1 . . ?
C18 C19 C20 119.8(3) . . ?
C20 C19 H19 120.1 . . ?
C15 C20 H20 119.3 . . ?
C19 C20 C15 121.4(3) . . ?
C19 C20 H20 119.3 . . ?
C22 C21 C14 122.0(2) . . ?
C26 C21 C14 120.8(2) . . ?
C26 C21 C22 117.2(2) . . ?
C21 C22 H22 119.5 . . ?
C23 C22 C21 121.0(2) . . ?
C23 C22 H22 119.5 . . ?
C22 C23 H23 118.7 . . ?
C22 C23 C24 122.6(2) . . ?
C24 C23 H23 118.7 . . ?
C23 C24 Si1 120.27(19) . . ?
C25 C24 Si1 123.86(19) . . ?
C25 C24 C23 115.8(2) . . ?
C24 C25 H25 119.1 . . ?
C26 C25 C24 121.8(2) . . ?
C26 C25 H25 119.1 . . ?
C21 C26 H26 119.2 . . ?
C25 C26 C21 121.6(2) . . ?
C25 C26 H26 119.2 . . ?
Si1 C27 H27A 109.5 . . ?
Si1 C27 H27B 109.5 . . ?
Si1 C27 H27C 109.5 . . ?
H27A C27 H27B 109.5 . . ?
H27A C27 H27C 109.5 . . ?
H27B C27 H27C 109.5 . . ?
Si1 C28 H28A 109.5 . . ?
Si1 C28 H28B 109.5 . . ?
Si1 C28 H28C 109.5 . . ?
H28A C28 H28B 109.5 . . ?
H28A C28 H28C 109.5 . . ?
H28B C28 H28C 109.5 . . ?
Si2 C29 H29A 109.5 . . ?
Si2 C29 H29B 109.5 . . ?
Si2 C29 H29C 109.5 . . ?
H29A C29 H29B 109.5 . . ?
H29A C29 H29C 109.5 . . ?
H29B C29 H29C 109.5 . . ?
Si2 C30 H30A 109.5 . . ?
Si2 C30 H30B 109.5 . . ?
Si2 C30 H30C 109.5 . . ?
H30A C30 H30B 109.5 . . ?
H30A C30 H30C 109.5 . . ?
H30B C30 H30C 109.5 . . ?
C32 C31 Si2 120.9(2) . . ?
C36 C31 Si2 123.9(2) . . ?
C36 C31 C32 115.1(3) . . ?
C31 C32 H32 118.7 . . ?
C33 C32 C31 122.6(3) . . ?
C33 C32 H32 118.7 . . ?
C32 C33 H33 120.2 . . ?
C32 C33 C34 119.7(3) . . ?
C34 C33 H33 120.2 . . ?
C33 C34 O1 116.1(2) . . ?
C35 C34 O1 123.6(3) . . ?
C35 C34 C33 120.2(3) . . ?
C34 C35 H35 120.4 . . ?
C34 C35 C36 119.2(3) . . ?
C36 C35 H35 120.4 . . ?
C31 C36 H36 118.4 . . ?
C35 C36 C31 123.2(3) . . ?
C35 C36 H36 118.4 . . ?
C38 C37 O1 119.4(3) . . ?
C38 C37 C42 120.6(3) . . ?
C42 C37 O1 119.9(3) . . ?
C37 C38 H38 119.9 . . ?
C37 C38 C39 120.2(4) . . ?
C39 C38 H38 119.9 . . ?
C38 C39 H39 120.3 . . ?
C40 C39 C38 119.4(4) . . ?
C40 C39 H39 120.3 . . ?
C39 C40 H40 119.3 . . ?
C39 C40 C41 121.3(4) . . ?
C41 C40 H40 119.3 . . ?
C40 C41 H41 119.8 . . ?
C40 C41 C42 120.4(4) . . ?
C42 C41 H41 119.8 . . ?
C37 C42 C41 118.0(4) . . ?
C37 C42 H42 121.0 . . ?
C41 C42 H42 121.0 . . ?

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
Si1 Si2 C31 C32 68.4(2) . . . . ?
Si1 Si2 C31 C36 -109.4(2) . . . . ?
Si1 C24 C25 C26 -178.56(19) . . . . ?
Si2 Si1 C24 C23 -74.0(2) . . . . ?
Si2 Si1 C24 C25 103.9(2) . . . . ?
Si2 C31 C32 C33 -178.4(2) . . . . ?
Si2 C31 C36 C35 178.2(2) . . . . ?
O1 C34 C35 C36 178.3(3) . . . . ?
O1 C37 C38 C39 177.7(3) . . . . ?
O1 C37 C42 C41 -179.1(3) . . . . ?
C1 C2 C3 C4 -0.3(4) . . . . ?
C1 C13 C14 C15 11.0(4) . . . . ?
C1 C13 C14 C21 -169.6(2) . . . . ?
C2 C1 C6 C5 -2.3(4) . . . . ?
C2 C1 C13 C7 -139.0(2) . . . . ?
C2 C1 C13 C14 42.2(3) . . . . ?
C2 C3 C4 C5 -1.0(4) . . . . ?
C3 C4 C5 C6 0.6(4) . . . . ?
C4 C5 C6 C1 1.1(4) . . . . ?
C6 C1 C2 C3 2.0(3) . . . . ?
C6 C1 C13 C7 39.0(3) . . . . ?
C6 C1 C13 C14 -139.9(2) . . . . ?
C7 C8 C9 C10 0.4(4) . . . . ?
C7 C13 C14 C15 -167.8(2) . . . . ?
C7 C13 C14 C21 11.6(4) . . . . ?
C8 C7 C12 C11 1.8(4) . . . . ?
C8 C7 C13 C1 53.9(3) . . . . ?
C8 C7 C13 C14 -127.3(3) . . . . ?
C8 C9 C10 C11 1.8(4) . . . . ?
C9 C10 C11 C12 -2.2(5) . . . . ?
C10 C11 C12 C7 0.3(4) . . . . ?
C12 C7 C8 C9 -2.2(4) . . . . ?
C12 C7 C13 C1 -125.1(3) . . . . ?
C12 C7 C13 C14 53.8(3) . . . . ?
C13 C1 C2 C3 180.0(2) . . . . ?
C13 C1 C6 C5 179.6(2) . . . . ?
C13 C7 C8 C9 178.9(2) . . . . ?
C13 C7 C12 C11 -179.3(3) . . . . ?
C13 C14 C15 C16 -129.5(3) . . . . ?
C13 C14 C15 C20 53.4(3) . . . . ?
C13 C14 C21 C22 51.4(3) . . . . ?
C13 C14 C21 C26 -131.8(3) . . . . ?
C14 C15 C16 C17 -179.2(2) . . . . ?
C14 C15 C20 C19 178.2(3) . . . . ?
C14 C21 C22 C23 177.0(2) . . . . ?
C14 C21 C26 C25 -178.5(2) . . . . ?
C15 C14 C21 C22 -129.1(2) . . . . ?
C15 C14 C21 C26 47.7(3) . . . . ?
C15 C16 C17 C18 2.0(4) . . . . ?
C16 C15 C20 C19 1.1(4) . . . . ?
C16 C17 C18 C19 -0.9(5) . . . . ?
C17 C18 C19 C20 -0.1(5) . . . . ?
C18 C19 C20 C15 0.0(5) . . . . ?
C20 C15 C16 C17 -2.0(4) . . . . ?
C21 C14 C15 C16 51.1(3) . . . . ?
C21 C14 C15 C20 -126.0(2) . . . . ?
C21 C22 C23 C24 1.2(4) . . . . ?
C22 C21 C26 C25 -1.6(3) . . . . ?
C22 C23 C24 Si1 177.14(19) . . . . ?
C22 C23 C24 C25 -0.9(4) . . . . ?
C23 C24 C25 C26 -0.6(4) . . . . ?
C24 C25 C26 C21 1.9(4) . . . . ?
C26 C21 C22 C23 0.1(3) . . . . ?
C27 Si1 C24 C23 43.8(2) . . . . ?
C27 Si1 C24 C25 -138.4(2) . . . . ?
C28 Si1 C24 C23 164.2(2) . . . . ?
C28 Si1 C24 C25 -18.0(3) . . . . ?
C29 Si2 C31 C32 -50.3(3) . . . . ?
C29 Si2 C31 C36 131.9(2) . . . . ?
C30 Si2 C31 C32 -170.9(2) . . . . ?
C30 Si2 C31 C36 11.3(3) . . . . ?
C31 C32 C33 C34 0.0(5) . . . . ?
C32 C31 C36 C35 0.3(4) . . . . ?
C32 C33 C34 O1 -178.5(3) . . . . ?
C32 C33 C34 C35 0.6(5) . . . . ?
C33 C34 C35 C36 -0.7(4) . . . . ?
C34 O1 C37 C38 92.0(4) . . . . ?
C34 O1 C37 C42 -90.0(4) . . . . ?
C34 C35 C36 C31 0.2(4) . . . . ?
C36 C31 C32 C33 -0.4(4) . . . . ?
C37 O1 C34 C33 -168.6(3) . . . . ?
C37 O1 C34 C35 12.4(5) . . . . ?
C37 C38 C39 C40 1.1(6) . . . . ?
C38 C37 C42 C41 -1.2(5) . . . . ?
C38 C39 C40 C41 -0.4(7) . . . . ?
C39 C40 C41 C42 -1.1(7) . . . . ?
C40 C41 C42 C37 1.9(6) . . . . ?
C42 C37 C38 C39 -0.3(5) . . . . ?

_olex2_submission_special_instructions 'No special instructions were received'
