# Electronic Supplementary Material (ESI) for Green Chemistry.
# This journal is © The Royal Society of Chemistry 2023

####################################################################### 
# 
# 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_exp_13211
_database_code_depnum_ccdc_archive 'CCDC 2290674'
loop_
_audit_author_name
_audit_author_address
'Ximei Zhao'
;Ludong University
China
;
_audit_update_record             
;
2023-10-05 deposited with the CCDC.	2023-12-04 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2018/3
_shelx_SHELXL_version_number     2018/3
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C29 H40 N2 O4 S Si'
_chemical_formula_weight         540.78

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'
S S 0.3331 0.5567 '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                   12.2243(4)
_cell_length_b                   10.5039(3)
_cell_length_c                   23.3691(8)
_cell_angle_alpha                90
_cell_angle_beta                 91.697(3)
_cell_angle_gamma                90
_cell_volume                     2999.34(17)
_cell_formula_units_Z            4
_cell_measurement_temperature    293(2)
_cell_measurement_reflns_used    4564
_cell_measurement_theta_min      3.7940
_cell_measurement_theta_max      71.1450

_exptl_crystal_description       BLOCK
_exptl_crystal_colour            WHITE
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.198
_exptl_crystal_F_000             1160
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.130
_exptl_crystal_size_mid          0.120
_exptl_crystal_size_min          0.120
_exptl_absorpt_coefficient_mu    1.618
_shelx_estimated_absorpt_T_min   0.817
_shelx_estimated_absorpt_T_max   0.829
_exptl_absorpt_correction_T_min  0.78214
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   SADABS
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      293(2)
_diffrn_radiation_wavelength     1.54184
_diffrn_radiation_type           CuK\a
_diffrn_source                   'fine-focus sealed X-ray tube'
_diffrn_measurement_device_type  'Xcalibur, Eos, Gemini'
_diffrn_measurement_method       ?
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            10887
_diffrn_reflns_av_unetI/netI     0.0402
_diffrn_reflns_av_R_equivalents  0.0281
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_l_min       -22
_diffrn_reflns_limit_l_max       27
_diffrn_reflns_theta_min         3.617
_diffrn_reflns_theta_max         67.245
_diffrn_reflns_theta_full        67.245
_diffrn_measured_fraction_theta_max 0.996
_diffrn_measured_fraction_theta_full 0.996
_diffrn_reflns_Laue_measured_fraction_max 0.996
_diffrn_reflns_Laue_measured_fraction_full 0.996
_diffrn_reflns_point_group_measured_fraction_max 0.996
_diffrn_reflns_point_group_measured_fraction_full 0.996
_reflns_number_total             5363
_reflns_number_gt                4100
_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       'CrysAlisPro 1.171.42.49 (Rigaku OD, 2022)'
_computing_cell_refinement       'CrysAlisPro 1.171.42.49 (Rigaku OD, 2022)'
_computing_data_reduction        'CrysAlisPro 1.171.42.49 (Rigaku OD, 2022)'
_computing_structure_solution    'SHELXL-2018/3 (Sheldrick, 2018)'
_computing_structure_refinement  'SHELXL-2018/3 (Sheldrick, 2018)'
_computing_molecular_graphics    ?
_computing_publication_material  ?
_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)+(0.1039P)²+0.9565P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   mixed
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         5363
_refine_ls_number_parameters     352
_refine_ls_number_restraints     2
_refine_ls_R_factor_all          0.0786
_refine_ls_R_factor_gt           0.0615
_refine_ls_wR_factor_ref         0.1835
_refine_ls_wR_factor_gt          0.1674
_refine_ls_goodness_of_fit_ref   1.036
_refine_ls_restrained_S_all      1.040
_refine_ls_shift/su_max          0.001
_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 0.25511(7) 0.00686(7) 0.59754(3) 0.0520(2) Uani 1 1 d . . . . .
S1 S 0.07210(6) 0.46799(7) 0.63195(4) 0.0592(2) Uani 1 1 d . . . . .
N1 N 0.14823(18) 0.3906(2) 0.58604(10) 0.0482(5) Uani 1 1 d . . . . .
N2 N 0.30266(17) 0.3193(2) 0.64079(8) 0.0420(5) Uani 1 1 d . . . . .
O1 O 0.1368(2) 0.4834(3) 0.68282(11) 0.0840(8) Uani 1 1 d . . . . .
O2 O 0.0283(2) 0.5756(2) 0.60172(13) 0.0846(8) Uani 1 1 d . . . . .
O3 O 0.6871(2) 0.6837(3) 0.56621(11) 0.0834(8) Uani 1 1 d . . . . .
O4 O 0.70582(18) 0.6814(2) 0.66101(10) 0.0705(6) Uani 1 1 d . . . . .
C1 C -0.0368(2) 0.3664(3) 0.64814(12) 0.0515(7) Uani 1 1 d . . . . .
C2 C -0.1388(3) 0.3830(3) 0.62212(14) 0.0597(8) Uani 1 1 d . . . . .
H2 H -0.150404 0.447119 0.595200 0.072 Uiso 1 1 calc R U . . .
C3 C -0.2233(3) 0.3031(4) 0.63661(15) 0.0688(9) Uani 1 1 d . . . . .
H3 H -0.291794 0.314269 0.618925 0.083 Uiso 1 1 calc R U . . .
C4 C -0.2094(3) 0.2073(3) 0.67641(16) 0.0689(9) Uani 1 1 d . . . . .
C5 C -0.1064(3) 0.1912(4) 0.70136(15) 0.0737(10) Uani 1 1 d . . . . .
H5 H -0.094563 0.125908 0.727685 0.088 Uiso 1 1 calc R U . . .
C6 C -0.0212(3) 0.2700(3) 0.68799(13) 0.0638(8) Uani 1 1 d . . . . .
H6 H 0.047141 0.258526 0.705753 0.077 Uiso 1 1 calc R U . . .
C7 C -0.3040(4) 0.1237(5) 0.6930(2) 0.1130(16) Uani 1 1 d . . . . .
H7A H -0.369335 0.174217 0.694668 0.170 Uiso 1 1 calc R U . . .
H7B H -0.288369 0.086422 0.729845 0.170 Uiso 1 1 calc R U . . .
H7C H -0.314489 0.057549 0.665057 0.170 Uiso 1 1 calc R U . . .
C8 C 0.1024(3) 0.3826(4) 0.52732(13) 0.0659(9) Uani 1 1 d . . . . .
H8A H 0.154778 0.343528 0.503055 0.099 Uiso 1 1 calc R U . . .
H8B H 0.085620 0.466604 0.513486 0.099 Uiso 1 1 calc R U . . .
H8C H 0.036754 0.332333 0.527045 0.099 Uiso 1 1 calc R U . . .
C9 C 0.2092(2) 0.2829(2) 0.60679(10) 0.0410(6) Uani 1 1 d . . . . .
C10 C 0.1835(2) 0.1643(3) 0.59366(11) 0.0448(6) Uani 1 1 d . . . . .
H10 H 0.112267 0.157167 0.578844 0.054 Uiso 1 1 calc R U . . .
C11 C 0.1891(4) -0.0883(4) 0.65593(17) 0.0882(12) Uani 1 1 d . . . . .
H11 H 0.220861 -0.173978 0.655993 0.106 Uiso 1 1 calc R U . . .
C12 C 0.2068(6) -0.0332(6) 0.71422(19) 0.150(3) Uani 1 1 d . . . . .
H12A H 0.173116 0.049246 0.715731 0.225 Uiso 1 1 calc R U . . .
H12B H 0.283854 -0.025277 0.722509 0.225 Uiso 1 1 calc R U . . .
H12C H 0.174745 -0.088109 0.741983 0.225 Uiso 1 1 calc R U . . .
C13 C 0.0626(4) -0.1018(5) 0.6473(2) 0.1142(17) Uani 1 1 d . . . . .
H13A H 0.036395 -0.166619 0.672404 0.171 Uiso 1 1 calc R U . . .
H13B H 0.045510 -0.124910 0.608312 0.171 Uiso 1 1 calc R U . . .
H13C H 0.028181 -0.022220 0.655872 0.171 Uiso 1 1 calc R U . . .
C14 C 0.2236(5) -0.0756(4) 0.52765(18) 0.1109(18) Uani 1 1 d D . . . .
H14 H 0.144350 -0.078682 0.532894 0.133 Uiso 0.66(3) 1 d R U P A 1
H14' H 0.289612 -0.051034 0.507623 0.133 Uiso 0.34(3) 1 d R U P A 2
C15 C 0.2373(6) -0.2137(5) 0.5257(2) 0.129(2) Uani 1 1 d . . . . .
H15A H 0.234930 -0.241679 0.486602 0.194 Uiso 1 1 calc R U . . .
H15B H 0.179389 -0.253768 0.545969 0.194 Uiso 1 1 calc R U . . .
H15C H 0.306503 -0.236321 0.543333 0.194 Uiso 1 1 calc R U . . .
C16 C 0.216(2) 0.0015(9) 0.4756(3) 0.115(5) Uani 0.66(3) 1 d D . P A 1
H16A H 0.288168 0.014235 0.461144 0.173 Uiso 0.66(3) 1 d R U P A 1
H16B H 0.184394 0.082505 0.484324 0.173 Uiso 0.66(3) 1 d R U P A 1
H16C H 0.171337 -0.041344 0.447316 0.173 Uiso 0.66(3) 1 d R U P A 1
C16' C 0.138(2) -0.0254(17) 0.4874(9) 0.089(8) Uani 0.34(3) 1 d D . P A 2
H16D H 0.146137 -0.063711 0.450479 0.134 Uiso 0.34(3) 1 d R U P A 2
H16E H 0.145713 0.065250 0.484238 0.134 Uiso 0.34(3) 1 d R U P A 2
H16F H 0.066282 -0.044859 0.501059 0.134 Uiso 0.34(3) 1 d R U P A 2
C17 C 0.4063(3) 0.0293(4) 0.6095(2) 0.0813(11) Uani 1 1 d . . . . .
H17 H 0.416163 0.072907 0.646341 0.098 Uiso 1 1 calc R U . . .
C18 C 0.4577(4) 0.1136(4) 0.5652(2) 0.1071(17) Uani 1 1 d . . . . .
H18A H 0.531653 0.133028 0.577009 0.161 Uiso 1 1 calc R U . . .
H18B H 0.416522 0.191187 0.561336 0.161 Uiso 1 1 calc R U . . .
H18C H 0.457391 0.070205 0.529007 0.161 Uiso 1 1 calc R U . . .
C19 C 0.4689(4) -0.0988(5) 0.6150(3) 0.139(2) Uani 1 1 d . . . . .
H19A H 0.460439 -0.145628 0.579819 0.208 Uiso 1 1 calc R U . . .
H19B H 0.439872 -0.147714 0.645710 0.208 Uiso 1 1 calc R U . . .
H19C H 0.545151 -0.082339 0.622713 0.208 Uiso 1 1 calc R U . . .
C20 C 0.3248(2) 0.2799(3) 0.69640(11) 0.0510(7) Uani 1 1 d . . . . .
H20 H 0.283812 0.220657 0.716154 0.061 Uiso 1 1 calc R U . . .
C21 C 0.4139(3) 0.3398(3) 0.71767(12) 0.0574(7) Uani 1 1 d . . . . .
H21 H 0.445514 0.328487 0.753994 0.069 Uiso 1 1 calc R U . . .
C22 C 0.4515(2) 0.4241(3) 0.67451(11) 0.0469(6) Uani 1 1 d . . . . .
C23 C 0.5412(2) 0.5059(3) 0.67083(12) 0.0526(7) Uani 1 1 d . . . . .
H23 H 0.588715 0.517704 0.702184 0.063 Uiso 1 1 calc R U . . .
C24 C 0.5582(2) 0.5688(3) 0.62010(12) 0.0496(6) Uani 1 1 d . . . . .
C25 C 0.4848(2) 0.5522(3) 0.57280(11) 0.0507(6) Uani 1 1 d . . . . .
H25 H 0.497550 0.595444 0.538916 0.061 Uiso 1 1 calc R U . . .
C26 C 0.3954(2) 0.4740(3) 0.57555(11) 0.0462(6) Uani 1 1 d . . . . .
H26 H 0.347206 0.464063 0.544340 0.055 Uiso 1 1 calc R U . . .
C27 C 0.3794(2) 0.4097(2) 0.62691(10) 0.0430(6) Uani 1 1 d . . . . .
C28 C 0.6554(2) 0.6505(3) 0.61198(14) 0.0570(7) Uani 1 1 d . . . . .
C29 C 0.8054(3) 0.7553(4) 0.65678(18) 0.0881(12) Uani 1 1 d . . . . .
H29A H 0.863301 0.701349 0.644131 0.132 Uiso 1 1 calc R U . . .
H29B H 0.825190 0.790220 0.693615 0.132 Uiso 1 1 calc R U . . .
H29C H 0.793696 0.823211 0.629809 0.132 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 C10 1.873(3) . ?
Si1 C17 1.875(4) . ?
Si1 C14 1.879(4) . ?
Si1 C11 1.892(4) . ?
S1 O1 1.418(3) . ?
S1 O2 1.429(3) . ?
S1 N1 1.654(2) . ?
S1 C1 1.756(3) . ?
N1 C9 1.432(3) . ?
N1 C8 1.469(4) . ?
N2 C27 1.380(3) . ?
N2 C20 1.383(3) . ?
N2 C9 1.424(3) . ?
O3 C28 1.200(4) . ?
O4 C28 1.325(4) . ?
O4 C29 1.449(4) . ?
C1 C2 1.382(4) . ?
C1 C6 1.385(4) . ?
C2 C3 1.381(5) . ?
C2 H2 0.9300 . ?
C3 C4 1.377(5) . ?
C3 H3 0.9300 . ?
C4 C5 1.382(5) . ?
C4 C7 1.512(5) . ?
C5 C6 1.373(5) . ?
C5 H5 0.9300 . ?
C6 H6 0.9300 . ?
C7 H7A 0.9600 . ?
C7 H7B 0.9600 . ?
C7 H7C 0.9600 . ?
C8 H8A 0.9600 . ?
C8 H8B 0.9600 . ?
C8 H8C 0.9600 . ?
C9 C10 1.318(4) . ?
C10 H10 0.9300 . ?
C11 C12 1.490(6) . ?
C11 C13 1.559(6) . ?
C11 H11 0.9800 . ?
C12 H12A 0.9600 . ?
C12 H12B 0.9600 . ?
C12 H12C 0.9600 . ?
C13 H13A 0.9600 . ?
C13 H13B 0.9600 . ?
C13 H13C 0.9600 . ?
C14 C16 1.462(7) . ?
C14 C15 1.460(6) . ?
C14 C16' 1.486(8) . ?
C14 H14 0.9800 . ?
C14 H14' 0.9800 . ?
C15 H15A 0.9600 . ?
C15 H15B 0.9600 . ?
C15 H15C 0.9600 . ?
C16 H16A 0.9600 . ?
C16 H16B 0.9600 . ?
C16 H16C 0.9600 . ?
C16' H16D 0.9600 . ?
C16' H16E 0.9600 . ?
C16' H16F 0.9600 . ?
C17 C18 1.514(6) . ?
C17 C19 1.552(5) . ?
C17 H17 0.9800 . ?
C18 H18A 0.9600 . ?
C18 H18B 0.9600 . ?
C18 H18C 0.9600 . ?
C19 H19A 0.9600 . ?
C19 H19B 0.9600 . ?
C19 H19C 0.9600 . ?
C20 C21 1.341(4) . ?
C20 H20 0.9300 . ?
C21 C22 1.428(4) . ?
C21 H21 0.9300 . ?
C22 C23 1.397(4) . ?
C22 C27 1.407(4) . ?
C23 C24 1.379(4) . ?
C23 H23 0.9300 . ?
C24 C25 1.414(4) . ?
C24 C28 1.482(4) . ?
C25 C26 1.370(4) . ?
C25 H25 0.9300 . ?
C26 C27 1.396(4) . ?
C26 H26 0.9300 . ?
C29 H29A 0.9600 . ?
C29 H29B 0.9600 . ?
C29 H29C 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
C10 Si1 C17 110.70(14) . . ?
C10 Si1 C14 106.36(16) . . ?
C17 Si1 C14 111.3(2) . . ?
C10 Si1 C11 107.02(17) . . ?
C17 Si1 C11 113.5(2) . . ?
C14 Si1 C11 107.6(2) . . ?
O1 S1 O2 121.06(17) . . ?
O1 S1 N1 106.80(13) . . ?
O2 S1 N1 106.14(15) . . ?
O1 S1 C1 107.25(16) . . ?
O2 S1 C1 108.19(15) . . ?
N1 S1 C1 106.60(13) . . ?
C9 N1 C8 116.8(2) . . ?
C9 N1 S1 117.77(17) . . ?
C8 N1 S1 115.31(18) . . ?
C27 N2 C20 108.1(2) . . ?
C27 N2 C9 126.4(2) . . ?
C20 N2 C9 125.1(2) . . ?
C28 O4 C29 116.3(3) . . ?
C2 C1 C6 119.5(3) . . ?
C2 C1 S1 120.6(2) . . ?
C6 C1 S1 120.0(2) . . ?
C3 C2 C1 119.2(3) . . ?
C3 C2 H2 120.4 . . ?
C1 C2 H2 120.4 . . ?
C4 C3 C2 122.1(3) . . ?
C4 C3 H3 119.0 . . ?
C2 C3 H3 119.0 . . ?
C3 C4 C5 117.8(3) . . ?
C3 C4 C7 121.1(4) . . ?
C5 C4 C7 121.0(4) . . ?
C6 C5 C4 121.2(3) . . ?
C6 C5 H5 119.4 . . ?
C4 C5 H5 119.4 . . ?
C5 C6 C1 120.2(3) . . ?
C5 C6 H6 119.9 . . ?
C1 C6 H6 119.9 . . ?
C4 C7 H7A 109.5 . . ?
C4 C7 H7B 109.5 . . ?
H7A C7 H7B 109.5 . . ?
C4 C7 H7C 109.5 . . ?
H7A C7 H7C 109.5 . . ?
H7B C7 H7C 109.5 . . ?
N1 C8 H8A 109.5 . . ?
N1 C8 H8B 109.5 . . ?
H8A C8 H8B 109.5 . . ?
N1 C8 H8C 109.5 . . ?
H8A C8 H8C 109.5 . . ?
H8B C8 H8C 109.5 . . ?
C10 C9 N2 124.4(2) . . ?
C10 C9 N1 123.3(2) . . ?
N2 C9 N1 112.2(2) . . ?
C9 C10 Si1 135.6(2) . . ?
C9 C10 H10 112.2 . . ?
Si1 C10 H10 112.2 . . ?
C12 C11 C13 105.7(4) . . ?
C12 C11 Si1 113.6(3) . . ?
C13 C11 Si1 113.4(3) . . ?
C12 C11 H11 108.0 . . ?
C13 C11 H11 108.0 . . ?
Si1 C11 H11 108.0 . . ?
C11 C12 H12A 109.5 . . ?
C11 C12 H12B 109.5 . . ?
H12A C12 H12B 109.5 . . ?
C11 C12 H12C 109.5 . . ?
H12A C12 H12C 109.5 . . ?
H12B C12 H12C 109.5 . . ?
C11 C13 H13A 109.5 . . ?
C11 C13 H13B 109.5 . . ?
H13A C13 H13B 109.5 . . ?
C11 C13 H13C 109.5 . . ?
H13A C13 H13C 109.5 . . ?
H13B C13 H13C 109.5 . . ?
C16 C14 C15 121.9(5) . . ?
C15 C14 C16' 114.4(8) . . ?
C16 C14 Si1 118.2(5) . . ?
C15 C14 Si1 117.6(3) . . ?
C16' C14 Si1 120.6(7) . . ?
C16 C14 H14 95.0 . . ?
C15 C14 H14 94.9 . . ?
Si1 C14 H14 94.8 . . ?
C15 C14 H14' 98.6 . . ?
C16' C14 H14' 100.4 . . ?
Si1 C14 H14' 98.2 . . ?
C14 C15 H15A 109.5 . . ?
C14 C15 H15B 109.5 . . ?
H15A C15 H15B 109.5 . . ?
C14 C15 H15C 109.5 . . ?
H15A C15 H15C 109.5 . . ?
H15B C15 H15C 109.5 . . ?
C14 C16 H16A 109.7 . . ?
C14 C16 H16B 109.3 . . ?
H16A C16 H16B 109.5 . . ?
C14 C16 H16C 109.4 . . ?
H16A C16 H16C 109.5 . . ?
H16B C16 H16C 109.5 . . ?
C14 C16' H16D 109.1 . . ?
C14 C16' H16E 109.2 . . ?
H16D C16' H16E 109.5 . . ?
C14 C16' H16F 110.2 . . ?
H16D C16' H16F 109.5 . . ?
H16E C16' H16F 109.5 . . ?
C18 C17 C19 110.5(4) . . ?
C18 C17 Si1 113.5(3) . . ?
C19 C17 Si1 112.6(3) . . ?
C18 C17 H17 106.6 . . ?
C19 C17 H17 106.6 . . ?
Si1 C17 H17 106.6 . . ?
C17 C18 H18A 109.5 . . ?
C17 C18 H18B 109.5 . . ?
H18A C18 H18B 109.5 . . ?
C17 C18 H18C 109.5 . . ?
H18A C18 H18C 109.5 . . ?
H18B C18 H18C 109.5 . . ?
C17 C19 H19A 109.5 . . ?
C17 C19 H19B 109.5 . . ?
H19A C19 H19B 109.5 . . ?
C17 C19 H19C 109.5 . . ?
H19A C19 H19C 109.5 . . ?
H19B C19 H19C 109.5 . . ?
C21 C20 N2 110.0(2) . . ?
C21 C20 H20 125.0 . . ?
N2 C20 H20 125.0 . . ?
C20 C21 C22 107.7(2) . . ?
C20 C21 H21 126.1 . . ?
C22 C21 H21 126.1 . . ?
C23 C22 C27 119.5(2) . . ?
C23 C22 C21 134.0(3) . . ?
C27 C22 C21 106.5(2) . . ?
C24 C23 C22 119.1(3) . . ?
C24 C23 H23 120.4 . . ?
C22 C23 H23 120.4 . . ?
C23 C24 C25 120.3(3) . . ?
C23 C24 C28 122.0(3) . . ?
C25 C24 C28 117.6(3) . . ?
C26 C25 C24 121.7(3) . . ?
C26 C25 H25 119.1 . . ?
C24 C25 H25 119.1 . . ?
C25 C26 C27 117.6(2) . . ?
C25 C26 H26 121.2 . . ?
C27 C26 H26 121.2 . . ?
N2 C27 C26 130.5(2) . . ?
N2 C27 C22 107.6(2) . . ?
C26 C27 C22 121.8(2) . . ?
O3 C28 O4 123.0(3) . . ?
O3 C28 C24 124.3(3) . . ?
O4 C28 C24 112.7(3) . . ?
O4 C29 H29A 109.5 . . ?
O4 C29 H29B 109.5 . . ?
H29A C29 H29B 109.5 . . ?
O4 C29 H29C 109.5 . . ?
H29A C29 H29C 109.5 . . ?
H29B C29 H29C 109.5 . . ?

_refine_diff_density_max         0.603
_refine_diff_density_min         -0.514
_refine_diff_density_rms         0.060

