# Electronic Supplementary Material (ESI) for Chemical Science.
# This journal is © The Royal Society of Chemistry 2015

####################################################################### 
# 
# 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_ydkr
_database_code_depnum_ccdc_archive 'CCDC 1428796'
_audit_update_record             
;
2015-09-30 deposited with the CCDC.
2015-11-09 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
; 
 ? 
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C38 H35 N O Si'
_chemical_formula_weight         549.76
_chemical_absolute_configuration ad

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'

_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_H-M   P212121

loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x+1/2, -y, z+1/2'
'x+1/2, -y+1/2, -z'
'-x, y+1/2, -z+1/2'

_cell_length_a                   9.568(4)
_cell_length_b                   14.645(4)
_cell_length_c                   21.564(6)
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_volume                     3021.6(17)
_cell_formula_units_Z            4
_cell_measurement_temperature    93
_cell_measurement_reflns_used    2891
_cell_measurement_theta_min      34.6
_cell_measurement_theta_max      73.6

_exptl_crystal_description       Block
_exptl_crystal_colour            Colorless
_exptl_crystal_size_max          0.21
_exptl_crystal_size_mid          0.07
_exptl_crystal_size_min          0.06
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.208
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             1168
_exptl_absorpt_coefficient_mu    0.912
_exptl_absorpt_correction_type   Multi-scan
_exptl_absorpt_correction_T_min  0.8316
_exptl_absorpt_correction_T_max  0.9473
_exptl_absorpt_process_details   'Jacobson, R. (1998) Private communication'

_exptl_special_details           
; 
 ? 
;

_diffrn_ambient_temperature      93(2)
_diffrn_radiation_wavelength     1.54187
_diffrn_radiation_type           CuK\a
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device_type  'Rigaku Saturn724 CCD'
_diffrn_measurement_method       'omega scans'
_diffrn_detector_area_resol_mean 28.5714
_diffrn_reflns_number            47108
_diffrn_reflns_av_R_equivalents  0.0705
_diffrn_reflns_av_sigmaI/netI    0.0299
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_l_min       -26
_diffrn_reflns_limit_l_max       26
_diffrn_reflns_theta_min         3.65
_diffrn_reflns_theta_max         74.82
_reflns_number_total             6130
_reflns_number_gt                5948
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       'RIGAKU CrystalClear'
_computing_cell_refinement       'RIGAKU CrystalClear'
_computing_data_reduction        'RIGAKU CrystalClear'
_computing_structure_solution    SIR-97
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_molecular_graphics    ORTEP-III
_computing_publication_material  ?

_refine_special_details          
; 
 Refinement of F² against ALL reflections.  The weighted R-factor wR and 
 goodness of fit S are based on F², conventional R-factors R are based 
 on F, with F set to zero for negative F². The threshold expression of 
 F² > 2sigma(F²) is used only for calculating R-factors(gt) etc. and is 
 not relevant to the choice of reflections for refinement.  R-factors based 
 on F² are statistically about twice as large as those based on F, and R- 
 factors based on ALL data will be even larger. 
;

_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'calc w=1/[σ²(Fo²)+(0.1398P)²+1.0362P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_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_abs_structure_details 'Flack H D (1983), Acta Cryst. A39, 876-881'
_refine_ls_abs_structure_Flack   0.04(4)
_refine_ls_number_reflns         6130
_refine_ls_number_parameters     374
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0735
_refine_ls_R_factor_gt           0.0721
_refine_ls_wR_factor_ref         0.1881
_refine_ls_wR_factor_gt          0.1856
_refine_ls_goodness_of_fit_ref   1.046
_refine_ls_restrained_S_all      1.046
_refine_ls_shift/su_max          0.009
_refine_ls_shift/su_mean         0.001

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_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Si1 Si 0.44963(8) 0.78377(5) 0.76793(3) 0.0296(2) Uani 1 1 d . . .
O1 O 0.3940(2) 0.56766(15) 0.53813(9) 0.0382(5) Uani 1 1 d . . .
N1 N 0.5299(3) 0.66392(16) 0.59466(11) 0.0322(5) Uani 1 1 d . . .
C11 C 0.4584(3) 0.71475(18) 0.69443(12) 0.0304(5) Uani 1 1 d . . .
C9 C 0.4062(3) 0.61365(19) 0.58515(13) 0.0335(6) Uani 1 1 d . . .
C35 C 0.7587(3) 0.6140(2) 0.55623(13) 0.0356(6) Uani 1 1 d . . .
H28 H 0.7785 0.5889 0.5959 0.043 Uiso 1 1 calc R . .
C14 C 0.7394(3) 0.6971(2) 0.91904(13) 0.0348(6) Uani 1 1 d . . .
C30 C 0.6331(3) 0.65687(19) 0.54572(13) 0.0328(6) Uani 1 1 d . . .
C6 C 0.2379(3) 0.66610(18) 0.74422(13) 0.0333(6) Uani 1 1 d . . .
C31 C 0.6017(3) 0.6930(2) 0.48828(14) 0.0360(6) Uani 1 1 d . . .
H24 H 0.5147 0.7226 0.4814 0.043 Uiso 1 1 calc R . .
C1 C 0.2826(3) 0.72693(19) 0.79092(13) 0.0312(5) Uani 1 1 d . . .
C29 C 0.7215(3) 0.8336(2) 0.60776(14) 0.0369(6) Uani 1 1 d . . .
H23 H 0.6619 0.8429 0.5731 0.044 Uiso 1 1 calc R . .
C24 C 0.6873(3) 0.7674(2) 0.65187(13) 0.0338(6) Uani 1 1 d . . .
C2 C 0.2097(3) 0.7349(2) 0.84607(14) 0.0367(6) Uani 1 1 d . . .
H1 H 0.2408 0.7767 0.8768 0.044 Uiso 1 1 calc R . .
C10 C 0.5532(3) 0.71447(19) 0.64809(12) 0.0316(5) Uani 1 1 d . . .
C32 C 0.6988(3) 0.6856(2) 0.44047(14) 0.0385(6) Uani 1 1 d . . .
H25 H 0.6777 0.7095 0.4006 0.046 Uiso 1 1 calc R . .
C20 C 0.4267(3) 0.91218(18) 0.75940(13) 0.0329(6) Uani 1 1 d . . .
C15 C 0.7954(3) 0.7565(2) 0.96291(14) 0.0387(7) Uani 1 1 d . . .
H5 H 0.7710 0.8194 0.9621 0.046 Uiso 1 1 calc R . .
C12 C 0.5800(3) 0.75512(19) 0.82772(13) 0.0333(6) Uani 1 1 d . . .
C8 C 0.3013(3) 0.61884(19) 0.63345(14) 0.0332(6) Uani 1 1 d . . .
C7 C 0.3291(3) 0.66290(19) 0.68791(13) 0.0329(6) Uani 1 1 d . . .
C26 C 0.8959(3) 0.8058(2) 0.70798(16) 0.0419(7) Uani 1 1 d . . .
H20 H 0.9568 0.7962 0.7422 0.050 Uiso 1 1 calc R . .
C22 C 0.5449(4) 0.9576(2) 0.72245(14) 0.0385(6) Uani 1 1 d . . .
H13 H 0.5388 0.9391 0.6789 0.058 Uiso 1 1 calc R . .
H14 H 0.6353 0.9387 0.7395 0.058 Uiso 1 1 calc R . .
H15 H 0.5360 1.0242 0.7254 0.058 Uiso 1 1 calc R . .
C3 C 0.0921(3) 0.6825(2) 0.85679(15) 0.0393(7) Uani 1 1 d . . .
H2 H 0.0413 0.6885 0.8944 0.047 Uiso 1 1 calc R . .
C36 C 0.1672(3) 0.5716(2) 0.61668(14) 0.0356(6) Uani 1 1 d . . .
H29 H 0.1506 0.5791 0.5716 0.043 Uiso 1 1 calc R . .
H30 H 0.0892 0.6018 0.6388 0.043 Uiso 1 1 calc R . .
C28 C 0.8410(4) 0.8857(2) 0.61402(16) 0.0428(7) Uani 1 1 d . . .
H22 H 0.8635 0.9308 0.5840 0.051 Uiso 1 1 calc R . .
C21 C 0.4208(4) 0.9535(2) 0.82483(14) 0.0382(7) Uani 1 1 d . . .
H10 H 0.4020 1.0191 0.8219 0.057 Uiso 1 1 calc R . .
H11 H 0.5106 0.9438 0.8457 0.057 Uiso 1 1 calc R . .
H12 H 0.3462 0.9239 0.8486 0.057 Uiso 1 1 calc R . .
C18 C 0.8653(3) 0.5725(2) 0.96682(14) 0.0393(7) Uani 1 1 d . . .
H8 H 0.8882 0.5095 0.9686 0.047 Uiso 1 1 calc R . .
C19 C 0.7738(3) 0.6040(2) 0.92168(14) 0.0372(6) Uani 1 1 d . . .
H9 H 0.7346 0.5626 0.8926 0.045 Uiso 1 1 calc R . .
C37 C 0.1660(3) 0.4697(2) 0.63237(15) 0.0369(6) Uani 1 1 d . . .
H31 H 0.2365 0.4381 0.6065 0.044 Uiso 1 1 calc R . .
H32 H 0.1930 0.4617 0.6763 0.044 Uiso 1 1 calc R . .
C17 C 0.9231(3) 0.6321(2) 1.00916(14) 0.0410(7) Uani 1 1 d . . .
H7 H 0.9877 0.6104 1.0392 0.049 Uiso 1 1 calc R . .
C25 C 0.7754(3) 0.7538(2) 0.70187(14) 0.0361(6) Uani 1 1 d . . .
H19 H 0.7534 0.7088 0.7321 0.043 Uiso 1 1 calc R . .
C27 C 0.9273(4) 0.8716(2) 0.66438(16) 0.0452(7) Uani 1 1 d . . .
H21 H 1.0093 0.9075 0.6690 0.054 Uiso 1 1 calc R . .
C33 C 0.8262(3) 0.6435(2) 0.45101(14) 0.0404(7) Uani 1 1 d . . .
H26 H 0.8931 0.6392 0.4186 0.049 Uiso 1 1 calc R . .
C23 C 0.2879(3) 0.9303(2) 0.72656(15) 0.0383(6) Uani 1 1 d . . .
H16 H 0.2753 0.9963 0.7211 0.057 Uiso 1 1 calc R . .
H17 H 0.2110 0.9059 0.7516 0.057 Uiso 1 1 calc R . .
H18 H 0.2883 0.9005 0.6859 0.057 Uiso 1 1 calc R . .
C13 C 0.6510(3) 0.7304(2) 0.86973(13) 0.0332(6) Uani 1 1 d . . .
C16 C 0.8869(3) 0.7242(2) 1.00790(14) 0.0411(7) Uani 1 1 d . . .
H6 H 0.9247 0.7649 1.0378 0.049 Uiso 1 1 calc R . .
C4 C 0.0494(3) 0.6210(2) 0.81180(15) 0.0408(7) Uani 1 1 d . . .
H3 H -0.0301 0.5838 0.8193 0.049 Uiso 1 1 calc R . .
C5 C 0.1201(3) 0.6127(2) 0.75612(15) 0.0396(7) Uani 1 1 d . . .
H4 H 0.0883 0.5705 0.7258 0.048 Uiso 1 1 calc R . .
C34 C 0.8559(3) 0.6074(2) 0.50923(15) 0.0404(7) Uani 1 1 d . . .
H27 H 0.9431 0.5782 0.5166 0.048 Uiso 1 1 calc R . .
C38 C 0.0234(4) 0.4256(2) 0.62172(19) 0.0480(8) Uani 1 1 d . . .
H33 H -0.0469 0.4564 0.6474 0.072 Uiso 1 1 calc R . .
H34 H 0.0278 0.3609 0.6331 0.072 Uiso 1 1 calc R . .
H35 H -0.0023 0.4312 0.5779 0.072 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 C12 1.842(3) . ?
Si1 C1 1.869(3) . ?
Si1 C11 1.882(3) . ?
Si1 C20 1.902(3) . ?
O1 C9 1.223(4) . ?
N1 C10 1.387(4) . ?
N1 C9 1.409(4) . ?
N1 C30 1.449(4) . ?
C11 C10 1.349(4) . ?
C11 C7 1.459(4) . ?
C9 C8 1.448(4) . ?
C35 C30 1.375(4) . ?
C35 C34 1.379(4) . ?
C35 H28 0.9500 . ?
C14 C15 1.393(4) . ?
C14 C19 1.403(4) . ?
C14 C13 1.444(4) . ?
C30 C31 1.380(4) . ?
C6 C5 1.396(4) . ?
C6 C1 1.411(4) . ?
C6 C7 1.496(4) . ?
C31 C32 1.392(4) . ?
C31 H24 0.9500 . ?
C1 C2 1.383(4) . ?
C29 C28 1.380(5) . ?
C29 C24 1.398(4) . ?
C29 H23 0.9500 . ?
C24 C25 1.383(4) . ?
C24 C10 1.501(4) . ?
C2 C3 1.381(5) . ?
C2 H1 0.9500 . ?
C32 C33 1.386(5) . ?
C32 H25 0.9500 . ?
C20 C23 1.528(4) . ?
C20 C22 1.536(4) . ?
C20 C21 1.536(4) . ?
C15 C16 1.390(4) . ?
C15 H5 0.9500 . ?
C12 C13 1.189(4) . ?
C8 C7 1.366(4) . ?
C8 C36 1.502(4) . ?
C26 C27 1.378(5) . ?
C26 C25 1.389(4) . ?
C26 H20 0.9500 . ?
C22 H13 0.9800 . ?
C22 H14 0.9800 . ?
C22 H15 0.9800 . ?
C3 C4 1.385(5) . ?
C3 H2 0.9500 . ?
C36 C37 1.530(4) . ?
C36 H29 0.9900 . ?
C36 H30 0.9900 . ?
C28 C27 1.380(5) . ?
C28 H22 0.9500 . ?
C21 H10 0.9800 . ?
C21 H11 0.9800 . ?
C21 H12 0.9800 . ?
C18 C17 1.379(5) . ?
C18 C19 1.388(4) . ?
C18 H8 0.9500 . ?
C19 H9 0.9500 . ?
C37 C38 1.527(4) . ?
C37 H31 0.9900 . ?
C37 H32 0.9900 . ?
C17 C16 1.392(5) . ?
C17 H7 0.9500 . ?
C25 H19 0.9500 . ?
C27 H21 0.9500 . ?
C33 C34 1.391(5) . ?
C33 H26 0.9500 . ?
C23 H16 0.9800 . ?
C23 H17 0.9800 . ?
C23 H18 0.9800 . ?
C16 H6 0.9500 . ?
C4 C5 1.383(4) . ?
C4 H3 0.9500 . ?
C5 H4 0.9500 . ?
C34 H27 0.9500 . ?
C38 H33 0.9800 . ?
C38 H34 0.9800 . ?
C38 H35 0.9800 . ?

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
C12 Si1 C1 106.98(13) . . ?
C12 Si1 C11 115.91(13) . . ?
C1 Si1 C11 91.28(13) . . ?
C12 Si1 C20 111.77(13) . . ?
C1 Si1 C20 111.54(13) . . ?
C11 Si1 C20 117.05(12) . . ?
C10 N1 C9 122.3(2) . . ?
C10 N1 C30 122.2(2) . . ?
C9 N1 C30 115.4(2) . . ?
C10 C11 C7 119.8(2) . . ?
C10 C11 Si1 130.9(2) . . ?
C7 C11 Si1 108.8(2) . . ?
O1 C9 N1 119.2(3) . . ?
O1 C9 C8 124.0(3) . . ?
N1 C9 C8 116.7(2) . . ?
C30 C35 C34 120.1(3) . . ?
C30 C35 H28 120.0 . . ?
C34 C35 H28 120.0 . . ?
C15 C14 C19 119.3(3) . . ?
C15 C14 C13 120.9(3) . . ?
C19 C14 C13 119.7(3) . . ?
C35 C30 C31 120.9(3) . . ?
C35 C30 N1 120.5(3) . . ?
C31 C30 N1 118.6(3) . . ?
C5 C6 C1 117.9(3) . . ?
C5 C6 C7 127.1(3) . . ?
C1 C6 C7 115.0(3) . . ?
C30 C31 C32 119.3(3) . . ?
C30 C31 H24 120.3 . . ?
C32 C31 H24 120.3 . . ?
C2 C1 C6 120.9(3) . . ?
C2 C1 Si1 128.4(2) . . ?
C6 C1 Si1 110.5(2) . . ?
C28 C29 C24 120.7(3) . . ?
C28 C29 H23 119.6 . . ?
C24 C29 H23 119.6 . . ?
C25 C24 C29 119.1(3) . . ?
C25 C24 C10 119.3(3) . . ?
C29 C24 C10 121.5(3) . . ?
C3 C2 C1 120.5(3) . . ?
C3 C2 H1 119.7 . . ?
C1 C2 H1 119.7 . . ?
C11 C10 N1 120.6(3) . . ?
C11 C10 C24 122.2(2) . . ?
N1 C10 C24 117.3(2) . . ?
C33 C32 C31 120.0(3) . . ?
C33 C32 H25 120.0 . . ?
C31 C32 H25 120.0 . . ?
C23 C20 C22 108.9(2) . . ?
C23 C20 C21 109.0(2) . . ?
C22 C20 C21 109.4(2) . . ?
C23 C20 Si1 108.49(19) . . ?
C22 C20 Si1 113.2(2) . . ?
C21 C20 Si1 107.75(19) . . ?
C16 C15 C14 120.2(3) . . ?
C16 C15 H5 119.9 . . ?
C14 C15 H5 119.9 . . ?
C13 C12 Si1 171.7(3) . . ?
C7 C8 C9 120.6(3) . . ?
C7 C8 C36 126.2(3) . . ?
C9 C8 C36 113.2(2) . . ?
C8 C7 C11 119.6(3) . . ?
C8 C7 C6 126.8(3) . . ?
C11 C7 C6 113.6(2) . . ?
C27 C26 C25 119.9(3) . . ?
C27 C26 H20 120.0 . . ?
C25 C26 H20 120.0 . . ?
C20 C22 H13 109.5 . . ?
C20 C22 H14 109.5 . . ?
H13 C22 H14 109.5 . . ?
C20 C22 H15 109.5 . . ?
H13 C22 H15 109.5 . . ?
H14 C22 H15 109.5 . . ?
C2 C3 C4 118.9(3) . . ?
C2 C3 H2 120.5 . . ?
C4 C3 H2 120.5 . . ?
C8 C36 C37 113.7(3) . . ?
C8 C36 H29 108.8 . . ?
C37 C36 H29 108.8 . . ?
C8 C36 H30 108.8 . . ?
C37 C36 H30 108.8 . . ?
H29 C36 H30 107.7 . . ?
C27 C28 C29 119.3(3) . . ?
C27 C28 H22 120.3 . . ?
C29 C28 H22 120.3 . . ?
C20 C21 H10 109.5 . . ?
C20 C21 H11 109.5 . . ?
H10 C21 H11 109.5 . . ?
C20 C21 H12 109.5 . . ?
H10 C21 H12 109.5 . . ?
H11 C21 H12 109.5 . . ?
C17 C18 C19 120.5(3) . . ?
C17 C18 H8 119.8 . . ?
C19 C18 H8 119.8 . . ?
C18 C19 C14 119.9(3) . . ?
C18 C19 H9 120.0 . . ?
C14 C19 H9 120.0 . . ?
C38 C37 C36 112.7(3) . . ?
C38 C37 H31 109.0 . . ?
C36 C37 H31 109.0 . . ?
C38 C37 H32 109.0 . . ?
C36 C37 H32 109.0 . . ?
H31 C37 H32 107.8 . . ?
C18 C17 C16 120.0(3) . . ?
C18 C17 H7 120.0 . . ?
C16 C17 H7 120.0 . . ?
C24 C25 C26 120.1(3) . . ?
C24 C25 H19 119.9 . . ?
C26 C25 H19 119.9 . . ?
C26 C27 C28 120.7(3) . . ?
C26 C27 H21 119.6 . . ?
C28 C27 H21 119.6 . . ?
C32 C33 C34 119.8(3) . . ?
C32 C33 H26 120.1 . . ?
C34 C33 H26 120.1 . . ?
C20 C23 H16 109.5 . . ?
C20 C23 H17 109.5 . . ?
H16 C23 H17 109.5 . . ?
C20 C23 H18 109.5 . . ?
H16 C23 H18 109.5 . . ?
H17 C23 H18 109.5 . . ?
C12 C13 C14 177.4(3) . . ?
C15 C16 C17 120.0(3) . . ?
C15 C16 H6 120.0 . . ?
C17 C16 H6 120.0 . . ?
C5 C4 C3 121.4(3) . . ?
C5 C4 H3 119.3 . . ?
C3 C4 H3 119.3 . . ?
C4 C5 C6 120.3(3) . . ?
C4 C5 H4 119.8 . . ?
C6 C5 H4 119.8 . . ?
C35 C34 C33 119.9(3) . . ?
C35 C34 H27 120.1 . . ?
C33 C34 H27 120.1 . . ?
C37 C38 H33 109.5 . . ?
C37 C38 H34 109.5 . . ?
H33 C38 H34 109.5 . . ?
C37 C38 H35 109.5 . . ?
H33 C38 H35 109.5 . . ?
H34 C38 H35 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
C12 Si1 C11 C10 -70.8(3) . . . . ?
C1 Si1 C11 C10 179.6(3) . . . . ?
C20 Si1 C11 C10 64.6(3) . . . . ?
C12 Si1 C11 C7 116.67(19) . . . . ?
C1 Si1 C11 C7 7.06(19) . . . . ?
C20 Si1 C11 C7 -108.0(2) . . . . ?
C10 N1 C9 O1 -177.2(3) . . . . ?
C30 N1 C9 O1 0.9(4) . . . . ?
C10 N1 C9 C8 1.5(4) . . . . ?
C30 N1 C9 C8 179.6(2) . . . . ?
C34 C35 C30 C31 0.6(4) . . . . ?
C34 C35 C30 N1 179.8(3) . . . . ?
C10 N1 C30 C35 65.3(4) . . . . ?
C9 N1 C30 C35 -112.8(3) . . . . ?
C10 N1 C30 C31 -115.6(3) . . . . ?
C9 N1 C30 C31 66.3(3) . . . . ?
C35 C30 C31 C32 0.1(4) . . . . ?
N1 C30 C31 C32 -179.1(2) . . . . ?
C5 C6 C1 C2 -1.5(4) . . . . ?
C7 C6 C1 C2 -178.4(3) . . . . ?
C5 C6 C1 Si1 175.2(2) . . . . ?
C7 C6 C1 Si1 -1.6(3) . . . . ?
C12 Si1 C1 C2 55.6(3) . . . . ?
C11 Si1 C1 C2 173.3(3) . . . . ?
C20 Si1 C1 C2 -66.9(3) . . . . ?
C12 Si1 C1 C6 -120.8(2) . . . . ?
C11 Si1 C1 C6 -3.1(2) . . . . ?
C20 Si1 C1 C6 116.7(2) . . . . ?
C28 C29 C24 C25 -0.6(4) . . . . ?
C28 C29 C24 C10 175.9(3) . . . . ?
C6 C1 C2 C3 0.7(4) . . . . ?
Si1 C1 C2 C3 -175.4(2) . . . . ?
C7 C11 C10 N1 -1.2(4) . . . . ?
Si1 C11 C10 N1 -173.0(2) . . . . ?
C7 C11 C10 C24 179.3(2) . . . . ?
Si1 C11 C10 C24 7.4(4) . . . . ?
C9 N1 C10 C11 2.2(4) . . . . ?
C30 N1 C10 C11 -175.7(2) . . . . ?
C9 N1 C10 C24 -178.2(2) . . . . ?
C30 N1 C10 C24 3.9(4) . . . . ?
C25 C24 C10 C11 54.6(4) . . . . ?
C29 C24 C10 C11 -121.9(3) . . . . ?
C25 C24 C10 N1 -125.0(3) . . . . ?
C29 C24 C10 N1 58.5(4) . . . . ?
C30 C31 C32 C33 -0.9(4) . . . . ?
C12 Si1 C20 C23 -161.37(19) . . . . ?
C1 Si1 C20 C23 -41.7(2) . . . . ?
C11 Si1 C20 C23 61.6(2) . . . . ?
C12 Si1 C20 C22 77.6(2) . . . . ?
C1 Si1 C20 C22 -162.7(2) . . . . ?
C11 Si1 C20 C22 -59.4(3) . . . . ?
C12 Si1 C20 C21 -43.5(2) . . . . ?
C1 Si1 C20 C21 76.2(2) . . . . ?
C11 Si1 C20 C21 179.4(2) . . . . ?
C19 C14 C15 C16 1.5(4) . . . . ?
C13 C14 C15 C16 -176.2(3) . . . . ?
O1 C9 C8 C7 172.2(3) . . . . ?
N1 C9 C8 C7 -6.5(4) . . . . ?
O1 C9 C8 C36 -7.5(4) . . . . ?
N1 C9 C8 C36 173.9(2) . . . . ?
C9 C8 C7 C11 7.7(4) . . . . ?
C36 C8 C7 C11 -172.7(3) . . . . ?
C9 C8 C7 C6 -173.4(3) . . . . ?
C36 C8 C7 C6 6.1(5) . . . . ?
C10 C11 C7 C8 -3.9(4) . . . . ?
Si1 C11 C7 C8 169.7(2) . . . . ?
C10 C11 C7 C6 177.1(2) . . . . ?
Si1 C11 C7 C6 -9.3(3) . . . . ?
C5 C6 C7 C8 12.0(5) . . . . ?
C1 C6 C7 C8 -171.5(3) . . . . ?
C5 C6 C7 C11 -169.1(3) . . . . ?
C1 C6 C7 C11 7.4(3) . . . . ?
C1 C2 C3 C4 0.9(5) . . . . ?
C7 C8 C36 C37 -92.7(4) . . . . ?
C9 C8 C36 C37 86.9(3) . . . . ?
C24 C29 C28 C27 0.2(5) . . . . ?
C17 C18 C19 C14 -0.2(4) . . . . ?
C15 C14 C19 C18 -1.5(4) . . . . ?
C13 C14 C19 C18 176.2(3) . . . . ?
C8 C36 C37 C38 173.5(3) . . . . ?
C19 C18 C17 C16 1.8(5) . . . . ?
C29 C24 C25 C26 0.2(4) . . . . ?
C10 C24 C25 C26 -176.3(3) . . . . ?
C27 C26 C25 C24 0.5(5) . . . . ?
C25 C26 C27 C28 -0.8(5) . . . . ?
C29 C28 C27 C26 0.5(5) . . . . ?
C31 C32 C33 C34 0.9(5) . . . . ?
C14 C15 C16 C17 0.2(5) . . . . ?
C18 C17 C16 C15 -1.8(5) . . . . ?
C2 C3 C4 C5 -1.5(5) . . . . ?
C3 C4 C5 C6 0.6(5) . . . . ?
C1 C6 C5 C4 0.9(4) . . . . ?
C7 C6 C5 C4 177.3(3) . . . . ?
C30 C35 C34 C33 -0.5(4) . . . . ?
C32 C33 C34 C35 -0.2(5) . . . . ?

_diffrn_measured_fraction_theta_max 0.993
_diffrn_reflns_theta_full        74.82
_diffrn_measured_fraction_theta_full 0.993
_refine_diff_density_max         1.291
_refine_diff_density_min         -0.431
_refine_diff_density_rms         0.081
