# Electronic Supplementary Material (ESI) for ChemComm.
# This journal is © The Royal Society of Chemistry 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 
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data_230705a
_audit_block_doi                 10.5517/ccdc.csd.cc2hll5w
_database_code_depnum_ccdc_archive 'CCDC 2311768'
loop_
_audit_author_name
_audit_author_address
'Zhen Zhang'
;Yantai University, Qingquan Road, Laishan District, Yantai
China
;
_audit_update_record             
;
2023-12-03 deposited with the CCDC.	2024-03-15 downloaded from the CCDC.
;
_audit_creation_date             2023-07-06
_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         'C31 H37 N O3 S Si'
_chemical_formula_sum            'C31 H37 N O3 S Si'
_chemical_formula_weight         531.76
_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'
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'
S S 0.1246 0.1234 '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      triclinic
_space_group_IT_number           2
_space_group_name_H-M_alt        'P -1'
_space_group_name_Hall           '-P 1'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   9.4620(9)
_cell_length_b                   9.6433(9)
_cell_length_c                   17.6776(19)
_cell_angle_alpha                75.612(2)
_cell_angle_beta                 75.789(2)
_cell_angle_gamma                87.111(3)
_cell_volume                     1514.5(3)
_cell_formula_units_Z            2
_cell_measurement_reflns_used    2059
_cell_measurement_temperature    100
_cell_measurement_theta_max      27.084
_cell_measurement_theta_min      2.225
_shelx_estimated_absorpt_T_max   0.966
_shelx_estimated_absorpt_T_min   0.966
_exptl_absorpt_coefficient_mu    0.177
_exptl_absorpt_correction_T_max  ?
_exptl_absorpt_correction_T_min  ?
_exptl_absorpt_correction_type   none
_exptl_absorpt_process_details   ?
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            'clear light colourless'
_exptl_crystal_colour_lustre     clear
_exptl_crystal_colour_modifier   light
_exptl_crystal_colour_primary    colourless
_exptl_crystal_density_diffrn    1.166
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             568
_exptl_crystal_size_max          0.2
_exptl_crystal_size_mid          0.2
_exptl_crystal_size_min          0.2
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0696
_diffrn_reflns_av_unetI/netI     0.1015
_diffrn_reflns_Laue_measured_fraction_full 0.982
_diffrn_reflns_Laue_measured_fraction_max 0.920
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -8
_diffrn_reflns_limit_k_max       11
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_l_max       23
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_number            9498
_diffrn_reflns_point_group_measured_fraction_full 0.982
_diffrn_reflns_point_group_measured_fraction_max 0.920
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         28.706
_diffrn_reflns_theta_min         2.180
_diffrn_ambient_temperature      100.0
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.982
_diffrn_measured_fraction_theta_max 0.920
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   ?
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                3786
_reflns_number_total             7198
_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 v6.02A (Bruker, 2001)'
_computing_data_collection       ?
_computing_data_reduction        'SAINT v6.02A (Bruker, 2001)'
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'ShelXL (Sheldrick, 2015)'
_computing_structure_solution    'SHELXT 2018/2 (Sheldrick, 2018)'
_refine_diff_density_max         0.579
_refine_diff_density_min         -0.669
_refine_diff_density_rms         0.080
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.176
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     315
_refine_ls_number_reflns         7198
_refine_ls_number_restraints     6
_refine_ls_R_factor_all          0.1866
_refine_ls_R_factor_gt           0.1280
_refine_ls_restrained_S_all      1.175
_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)+(0.0884P)²+4.7806P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.3297
_refine_ls_wR_factor_ref         0.3530
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2. Restrained distances
 C00X-C00T = C010-C00V = C011-C00Y = C00Z-C00R = C00W-C00G
 1.54 with sigma of 0.001
 C00D-C009
 1.54 with sigma of 0.001
3.a Ternary CH refined with riding coordinates:
 C00B(H00B)
3.b Secondary CH2 refined with riding coordinates:
 C00Q(H00A,H00C), C00T(H00D,H00G), C00V(H00Q,H00R), C00Y(H00Z,HA)
3.c Aromatic/amide H refined with riding coordinates:
 C00E(H00E), C00F(H00F), C00H(H00H), C00J(H00J), C00K(H00K), C00M(H00M),
 C00I(H00I), C00L(H00L), C00P(H00P), C00S(H00S), C00U(H00U), C00N(H00N),
 C00O(H00O)
3.d Fitted hexagon refined as free rotating group:
 C00M(C00C,C00I,C00L,C00G,C00P), C00S(C00U,C00R,C00D,C00N,C00O)
3.e Idealised Me refined as rotating group:
 C00W(H00T,H00V,H00W), C00X(H00X,H00Y,H), C00Z(H00,HB,HC), C010(H01A,H01B,
 H01C), C011(H01D,H01E,H01F)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     ?
_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
S001 S 0.73138(18) 0.26373(18) 0.93689(10) 0.0504(4) Uani 1 1 d . . . . .
Si02 Si 0.9542(2) 0.6628(2) 0.62584(13) 0.0603(6) Uani 1 1 d . . . . .
O003 O 0.5947(5) 0.2343(5) 0.9946(3) 0.0633(13) Uani 1 1 d . . . . .
O004 O 0.8377(6) 0.3516(5) 0.9484(3) 0.0661(13) Uani 1 1 d . . . . .
N005 N 0.6879(5) 0.3452(5) 0.8484(3) 0.0450(12) Uani 1 1 d . . . . .
O006 O 0.9285(5) 0.3629(5) 0.7803(3) 0.0650(13) Uani 1 1 d . . . . .
C007 C 0.5351(6) 0.3628(6) 0.8468(4) 0.0431(13) Uani 1 1 d . . . . .
C008 C 0.4716(6) 0.2964(6) 0.8010(4) 0.0461(14) Uani 1 1 d . . . . .
C009 C 0.5598(6) 0.2243(4) 0.7408(4) 0.0474(14) Uani 1 1 d D . . . .
C00A C 0.8004(7) 0.3763(6) 0.7783(4) 0.0501(15) Uani 1 1 d . . . . .
C00B C 0.7506(7) 0.4177(7) 0.6998(4) 0.0499(15) Uani 1 1 d . . . . .
H00B H 0.6711 0.4895 0.7055 0.060 Uiso 1 1 calc R . . . .
C00E C 0.4521(7) 0.4459(7) 0.8959(4) 0.0499(15) Uani 1 1 d . . . . .
H00E H 0.4974 0.4928 0.9252 0.060 Uiso 1 1 calc R . . . .
C00F C 0.6856(7) 0.2819(7) 0.6943(4) 0.0528(16) Uani 1 1 d . . . . .
H00F H 0.7381 0.2346 0.6550 0.063 Uiso 1 1 calc R . . . .
C00H C 0.3038(7) 0.4593(7) 0.9015(5) 0.0584(18) Uani 1 1 d . . . . .
H00H H 0.2471 0.5147 0.9353 0.070 Uiso 1 1 calc R . . . .
C00J C 0.2372(7) 0.3922(7) 0.8580(5) 0.0617(19) Uani 1 1 d . . . . .
H00J H 0.1352 0.4010 0.8622 0.074 Uiso 1 1 calc R . . . .
C00K C 0.3209(7) 0.3125(7) 0.8084(5) 0.0569(17) Uani 1 1 d . . . . .
H00K H 0.2749 0.2673 0.7785 0.068 Uiso 1 1 calc R . . . .
C00M C 0.9576(4) 0.0844(4) 0.9019(3) 0.0622(19) Uani 1 1 d . . . . .
H00M H 1.0204 0.1633 0.8939 0.075 Uiso 1 1 calc R . . . .
C00C C 0.8073(4) 0.1007(3) 0.9231(3) 0.0453(14) Uani 1 1 d G . . . .
C00I C 0.7153(3) -0.0146(4) 0.9349(3) 0.0563(17) Uani 1 1 d G . . . .
H00I H 0.6126 -0.0035 0.9494 0.068 Uiso 1 1 calc R . . . .
C00L C 0.7735(4) -0.1463(3) 0.9255(3) 0.0625(19) Uani 1 1 d G . . . .
H00L H 0.7107 -0.2251 0.9336 0.075 Uiso 1 1 calc R . . . .
C00G C 0.9238(5) -0.1626(3) 0.9044(3) 0.0574(17) Uani 1 1 d DG . . . .
C00P C 1.0158(3) -0.0472(5) 0.8926(3) 0.066(2) Uani 1 1 d G . . . .
H00P H 1.1185 -0.0583 0.8781 0.080 Uiso 1 1 calc R . . . .
C00Q C 0.8737(8) 0.4848(8) 0.6274(4) 0.0616(18) Uani 1 1 d . . . . .
H00A H 0.8369 0.4981 0.5783 0.074 Uiso 1 1 calc R . . . .
H00C H 0.9540 0.4150 0.6236 0.074 Uiso 1 1 calc R . . . .
C00S C 0.4019(6) -0.1822(4) 0.7322(3) 0.076(2) Uani 1 1 d . . . . .
H00S H 0.3689 -0.2732 0.7314 0.092 Uiso 1 1 calc R . . . .
C00U C 0.4403(6) -0.0762(5) 0.6611(2) 0.081(2) Uani 1 1 d G . . . .
H00U H 0.4336 -0.0947 0.6117 0.097 Uiso 1 1 calc R . . . .
C00R C 0.4886(6) 0.0569(4) 0.6622(2) 0.0658(19) Uani 1 1 d DG . . . .
C00D C 0.4985(5) 0.0839(3) 0.7344(3) 0.0496(15) Uani 1 1 d DG . . . .
C00N C 0.4600(5) -0.0221(5) 0.8055(2) 0.0590(18) Uani 1 1 d G . . . .
H00N H 0.4668 -0.0036 0.8548 0.071 Uiso 1 1 calc R . . . .
C00O C 0.4118(6) -0.1552(4) 0.8044(3) 0.068(2) Uani 1 1 d G . . . .
H00O H 0.3855 -0.2277 0.8530 0.082 Uiso 1 1 calc R . . . .
C00T C 0.8290(9) 0.7525(7) 0.6986(5) 0.077(2) Uani 1 1 d D . . . .
H00D H 0.7313 0.7598 0.6871 0.092 Uiso 1 1 calc R . . . .
H00G H 0.8193 0.6916 0.7537 0.092 Uiso 1 1 calc R . . . .
C00V C 0.9787(9) 0.7780(9) 0.5214(5) 0.085(3) Uani 1 1 d D . . . .
H00Q H 1.0303 0.8672 0.5176 0.102 Uiso 1 1 calc R . . . .
H00R H 1.0418 0.7274 0.4835 0.102 Uiso 1 1 calc R . . . .
C00W C 0.9880(9) -0.3087(5) 0.8943(6) 0.081(2) Uani 1 1 d D . . . .
H00T H 1.0101 -0.3625 0.9448 0.121 Uiso 1 1 calc GR . . . .
H00V H 1.0776 -0.2939 0.8512 0.121 Uiso 1 1 calc GR . . . .
H00W H 0.9170 -0.3627 0.8805 0.121 Uiso 1 1 calc GR . . . .
C00X C 0.8799(12) 0.9032(7) 0.6961(6) 0.097(3) Uani 1 1 d D . . . .
H00X H 0.8780 0.9678 0.6439 0.145 Uiso 1 1 calc GR . . . .
H00Y H 0.9795 0.8985 0.7036 0.145 Uiso 1 1 calc GR . . . .
H H 0.8146 0.9391 0.7392 0.145 Uiso 1 1 calc GR . . . .
C00Y C 1.1366(9) 0.6398(9) 0.6508(6) 0.084(3) Uani 1 1 d D . . . .
H00Z H 1.1815 0.7357 0.6392 0.101 Uiso 1 1 calc R . . . .
HA H 1.1213 0.5974 0.7093 0.101 Uiso 1 1 calc R . . . .
C00Z C 0.5252(12) 0.1706(9) 0.5816(3) 0.100(3) Uani 1 1 d D . . . .
H00 H 0.4938 0.2647 0.5907 0.150 Uiso 1 1 calc GR . . . .
HB H 0.4744 0.1466 0.5443 0.150 Uiso 1 1 calc GR . . . .
HC H 0.6306 0.1727 0.5585 0.150 Uiso 1 1 calc GR . . . .
C010 C 0.8361(10) 0.8183(12) 0.4944(7) 0.122(4) Uani 1 1 d D . . . .
H01A H 0.8587 0.8755 0.4386 0.183 Uiso 1 1 calc GR . . . .
H01B H 0.7752 0.8742 0.5292 0.183 Uiso 1 1 calc GR . . . .
H01C H 0.7835 0.7309 0.4981 0.183 Uiso 1 1 calc GR . . . .
C011 C 1.2451(10) 0.5460(12) 0.6057(7) 0.119(4) Uani 1 1 d D . . . .
H01D H 1.2550 0.5816 0.5477 0.179 Uiso 1 1 calc GR . . . .
H01E H 1.2090 0.4468 0.6229 0.179 Uiso 1 1 calc GR . . . .
H01F H 1.3402 0.5498 0.6179 0.179 Uiso 1 1 calc GR . . . .


_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
S001 O003 1.428(5) . ?
S001 O004 1.430(5) . ?
S001 N005 1.705(5) . ?
S001 C00C 1.743(3) . ?
Si02 C00Q 1.903(7) . ?
Si02 C00T 1.873(8) . ?
Si02 C00V 1.870(8) . ?
Si02 C00Y 1.873(9) . ?
N005 C007 1.453(7) . ?
N005 C00A 1.400(8) . ?
O006 C00A 1.220(7) . ?
C007 C008 1.400(9) . ?
C007 C00E 1.401(8) . ?
C008 C009 1.478(8) . ?
C008 C00K 1.404(8) . ?
C009 C00F 1.327(8) . ?
C009 C00D 1.5394(10) . ?
C00A C00B 1.526(9) . ?
C00B C00F 1.509(9) . ?
C00B C00Q 1.532(9) . ?
C00E C00H 1.384(9) . ?
C00H C00J 1.390(10) . ?
C00J C00K 1.386(10) . ?
C00M C00C 1.3900 . ?
C00M C00P 1.3900 . ?
C00C C00I 1.3900 . ?
C00I C00L 1.3900 . ?
C00L C00G 1.3900 . ?
C00G C00P 1.3900 . ?
C00G C00W 1.5397(10) . ?
C00S C00U 1.3900 . ?
C00S C00O 1.3900 . ?
C00U C00R 1.3900 . ?
C00R C00D 1.3900 . ?
C00R C00Z 1.5400(10) . ?
C00D C00N 1.3900 . ?
C00N C00O 1.3900 . ?
C00T C00X 1.5401(10) . ?
C00V C010 1.5399(10) . ?
C00Y C011 1.5398(10) . ?

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
O003 S001 O004 119.8(3) . . ?
O003 S001 N005 105.0(3) . . ?
O003 S001 C00C 107.9(3) . . ?
O004 S001 N005 107.7(3) . . ?
O004 S001 C00C 110.3(3) . . ?
N005 S001 C00C 105.1(2) . . ?
C00T Si02 C00Q 110.9(3) . . ?
C00V Si02 C00Q 107.3(4) . . ?
C00V Si02 C00T 109.6(4) . . ?
C00V Si02 C00Y 108.3(4) . . ?
C00Y Si02 C00Q 111.8(4) . . ?
C00Y Si02 C00T 108.9(4) . . ?
C007 N005 S001 118.9(4) . . ?
C00A N005 S001 118.3(4) . . ?
C00A N005 C007 122.3(5) . . ?
C008 C007 N005 122.3(5) . . ?
C008 C007 C00E 121.2(6) . . ?
C00E C007 N005 116.5(5) . . ?
C007 C008 C009 122.1(5) . . ?
C007 C008 C00K 117.4(6) . . ?
C00K C008 C009 120.2(6) . . ?
C008 C009 C00D 117.4(5) . . ?
C00F C009 C008 120.0(4) . . ?
C00F C009 C00D 122.7(5) . . ?
N005 C00A C00B 115.1(5) . . ?
O006 C00A N005 121.8(6) . . ?
O006 C00A C00B 123.0(6) . . ?
C00A C00B C00Q 112.5(6) . . ?
C00F C00B C00A 104.7(5) . . ?
C00F C00B C00Q 114.8(6) . . ?
C00H C00E C007 119.6(6) . . ?
C009 C00F C00B 124.2(6) . . ?
C00E C00H C00J 120.5(6) . . ?
C00K C00J C00H 119.4(6) . . ?
C00J C00K C008 121.9(7) . . ?
C00C C00M C00P 120.0 . . ?
C00M C00C S001 120.9(2) . . ?
C00I C00C S001 119.0(2) . . ?
C00I C00C C00M 120.0 . . ?
C00C C00I C00L 120.0 . . ?
C00G C00L C00I 120.0 . . ?
C00L C00G C00W 119.8(4) . . ?
C00P C00G C00L 120.0 . . ?
C00P C00G C00W 120.2(4) . . ?
C00G C00P C00M 120.0 . . ?
C00B C00Q Si02 117.8(5) . . ?
C00U C00S C00O 120.0 . . ?
C00S C00U C00R 120.0 . . ?
C00U C00R C00D 120.0 . . ?
C00U C00R C00Z 117.2(5) . . ?
C00D C00R C00Z 122.8(5) . . ?
C00R C00D C009 123.7(4) . . ?
C00N C00D C009 116.2(4) . . ?
C00N C00D C00R 120.0 . . ?
C00D C00N C00O 120.0 . . ?
C00N C00O C00S 120.0 . . ?
C00X C00T Si02 114.2(6) . . ?
C010 C00V Si02 114.7(6) . . ?
C011 C00Y Si02 115.6(7) . . ?

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
S001 N005 C007 C008 -116.4(6) . . . . ?
S001 N005 C007 C00E 61.3(7) . . . . ?
S001 N005 C00A O006 -9.1(8) . . . . ?
S001 N005 C00A C00B 166.9(4) . . . . ?
S001 C00C C00I C00L -179.0(4) . . . . ?
O003 S001 N005 C007 -2.4(5) . . . . ?
O003 S001 N005 C00A -174.6(4) . . . . ?
O003 S001 C00C C00M -150.6(3) . . . . ?
O003 S001 C00C C00I 28.4(4) . . . . ?
O004 S001 N005 C007 -131.2(5) . . . . ?
O004 S001 N005 C00A 56.7(5) . . . . ?
O004 S001 C00C C00M -18.1(4) . . . . ?
O004 S001 C00C C00I 160.9(3) . . . . ?
N005 S001 C00C C00M 97.8(3) . . . . ?
N005 S001 C00C C00I -83.3(3) . . . . ?
N005 C007 C008 C009 -10.6(9) . . . . ?
N005 C007 C008 C00K 175.5(5) . . . . ?
N005 C007 C00E C00H -175.7(6) . . . . ?
N005 C00A C00B C00F -68.6(7) . . . . ?
N005 C00A C00B C00Q 166.1(5) . . . . ?
O006 C00A C00B C00F 107.3(7) . . . . ?
O006 C00A C00B C00Q -17.9(9) . . . . ?
C007 N005 C00A O006 179.1(6) . . . . ?
C007 N005 C00A C00B -4.9(8) . . . . ?
C007 C008 C009 C00F -39.7(9) . . . . ?
C007 C008 C009 C00D 141.1(5) . . . . ?
C007 C008 C00K C00J 0.9(10) . . . . ?
C007 C00E C00H C00J -0.7(10) . . . . ?
C008 C007 C00E C00H 2.1(9) . . . . ?
C008 C009 C00F C00B 2.0(10) . . . . ?
C008 C009 C00D C00R 130.3(5) . . . . ?
C008 C009 C00D C00N -53.6(6) . . . . ?
C009 C008 C00K C00J -173.1(6) . . . . ?
C009 C00D C00N C00O -176.2(5) . . . . ?
C00A N005 C007 C008 55.4(8) . . . . ?
C00A N005 C007 C00E -126.9(6) . . . . ?
C00A C00B C00F C009 71.4(8) . . . . ?
C00A C00B C00Q Si02 -64.3(7) . . . . ?
C00E C007 C008 C009 171.8(6) . . . . ?
C00E C007 C008 C00K -2.1(9) . . . . ?
C00E C00H C00J C00K -0.5(11) . . . . ?
C00F C009 C00D C00R -48.8(8) . . . . ?
C00F C009 C00D C00N 127.2(6) . . . . ?
C00F C00B C00Q Si02 176.1(5) . . . . ?
C00H C00J C00K C008 0.4(11) . . . . ?
C00K C008 C009 C00F 134.0(7) . . . . ?
C00K C008 C009 C00D -45.2(8) . . . . ?
C00M C00C C00I C00L 0.0 . . . . ?
C00C S001 N005 C007 111.2(4) . . . . ?
C00C S001 N005 C00A -60.9(5) . . . . ?
C00C C00M C00P C00G 0.0 . . . . ?
C00C C00I C00L C00G 0.0 . . . . ?
C00I C00L C00G C00P 0.0 . . . . ?
C00I C00L C00G C00W 179.8(6) . . . . ?
C00L C00G C00P C00M 0.0 . . . . ?
C00P C00M C00C S001 178.9(4) . . . . ?
C00P C00M C00C C00I 0.0 . . . . ?
C00Q Si02 C00T C00X -175.1(6) . . . . ?
C00Q Si02 C00V C010 64.4(8) . . . . ?
C00Q Si02 C00Y C011 47.6(8) . . . . ?
C00Q C00B C00F C009 -164.8(7) . . . . ?
C00S C00U C00R C00D 0.0 . . . . ?
C00S C00U C00R C00Z -178.3(6) . . . . ?
C00U C00S C00O C00N 0.0 . . . . ?
C00U C00R C00D C009 175.9(5) . . . . ?
C00U C00R C00D C00N 0.0 . . . . ?
C00R C00D C00N C00O 0.0 . . . . ?
C00D C009 C00F C00B -178.8(5) . . . . ?
C00D C00N C00O C00S 0.0 . . . . ?
C00O C00S C00U C00R 0.0 . . . . ?
C00T Si02 C00V C010 -56.1(8) . . . . ?
C00T Si02 C00Y C011 170.4(7) . . . . ?
C00V Si02 C00T C00X -56.9(8) . . . . ?
C00V Si02 C00Y C011 -70.4(8) . . . . ?
C00W C00G C00P C00M -179.8(6) . . . . ?
C00Y Si02 C00T C00X 61.5(8) . . . . ?
C00Y Si02 C00V C010 -174.8(7) . . . . ?
C00Z C00R C00D C009 -5.8(7) . . . . ?
C00Z C00R C00D C00N 178.2(7) . . . . ?

_olex2_submission_special_instructions 'No special instructions were received'
