# Electronic Supplementary Material (ESI) for ChemComm.
# 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_cKSS10_a_a_a
_database_code_depnum_ccdc_archive 'CCDC 2099797'
loop_
_audit_author_name
_audit_author_address
'Satoshi Kusaka'
;Graduate School of Engineering, Kyoto University
Japan
;
_audit_update_record             
;
2021-07-28 deposited with the CCDC.	2021-11-19 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2018/3
_shelx_SHELXL_version_number     2018/3
_chemical_name_systematic        
(R)-3-methyl-5-(trimethylsilyl)-2,3-dihydrobenzofuran-3-ol
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C12 H18 O2 Si'
_chemical_formula_weight         222.35

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'

_space_group_crystal_system      orthorhombic
_space_group_IT_number           19
_space_group_name_H-M_alt        'P 21 21 21'
_space_group_name_Hall           'P 2ac 2ab'

_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+1/2, -y, z+1/2'
'x+1/2, -y+1/2, -z'
'-x, y+1/2, -z+1/2'

_cell_length_a                   6.7361(17)
_cell_length_b                   21.906(6)
_cell_length_c                   26.843(7)
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_volume                     3961.0(18)
_cell_formula_units_Z            12
_cell_measurement_temperature    143(2)
_cell_measurement_reflns_used    7682
_cell_measurement_theta_min      3.0
_cell_measurement_theta_max      27.5

_exptl_crystal_description       Prism
_exptl_crystal_colour            Colorless
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.119
_exptl_crystal_F_000             1440
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.20
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.20
_exptl_absorpt_coefficient_mu    0.159
_shelx_estimated_absorpt_T_min   ?
_shelx_estimated_absorpt_T_max   ?
_exptl_absorpt_correction_type   Multi-scan
_exptl_absorpt_correction_T_min  0.791
_exptl_absorpt_correction_T_max  1.000
_exptl_absorpt_process_details   ?
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      143(2)
_diffrn_radiation_wavelength     0.71075
_diffrn_radiation_type           MoK\a
_diffrn_source                   'Rotating Anode'
_diffrn_measurement_device_type  'Rigaku Saturn724+ (4x4 bin mode)'
_diffrn_measurement_method       'profile data from ω-scans'
_diffrn_detector_area_resol_mean 28.5714
_diffrn_reflns_number            32323
_diffrn_reflns_av_unetI/netI     0.1111
_diffrn_reflns_av_R_equivalents  0.0970
_diffrn_reflns_limit_h_min       -8
_diffrn_reflns_limit_h_max       8
_diffrn_reflns_limit_k_min       -21
_diffrn_reflns_limit_k_max       28
_diffrn_reflns_limit_l_min       -34
_diffrn_reflns_limit_l_max       34
_diffrn_reflns_theta_min         3.036
_diffrn_reflns_theta_max         27.488
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measured_fraction_theta_full 0.997
_diffrn_reflns_Laue_measured_fraction_max 0.998
_diffrn_reflns_Laue_measured_fraction_full 0.997
_diffrn_reflns_point_group_measured_fraction_max 0.998
_diffrn_reflns_point_group_measured_fraction_full 0.998
_reflns_number_total             9056
_reflns_number_gt                6333
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.771
_reflns_Friedel_fraction_max     0.998
_reflns_Friedel_fraction_full    1.000

_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       ?
_computing_cell_refinement       ?
_computing_data_reduction        ?
_computing_structure_solution    'SHELXT 2018/2 (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)+(0.0310P)²+0.9645P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
_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 x determined using 1515 quotients [(I+)-(I-)]/[(I+)+(I-)]
 (Parsons, Flack and Wagner, Acta Cryst. B69 (2013) 249-259).
;
_refine_ls_abs_structure_Flack   0.04(10)
_chemical_absolute_configuration ad
_refine_ls_number_reflns         9056
_refine_ls_number_parameters     421
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.1287
_refine_ls_R_factor_gt           0.0903
_refine_ls_wR_factor_ref         0.1464
_refine_ls_wR_factor_gt          0.1317
_refine_ls_goodness_of_fit_ref   1.141
_refine_ls_restrained_S_all      1.141
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Si3 Si 0.5233(3) 0.25981(7) 0.09937(6) 0.0370(4) Uani 1 1 d . . . . .
Si2 Si 0.1953(3) 0.72404(7) 0.09087(7) 0.0409(4) Uani 1 1 d . . . . .
Si1 Si 0.8559(3) 0.50904(8) 0.44980(7) 0.0511(5) Uani 1 1 d . . . . .
O4 O 0.1763(6) 0.52389(15) 0.23337(14) 0.0347(9) Uani 1 1 d . . . . .
H1 H 0.285460 0.513604 0.220771 0.052 Uiso 1 1 calc R U . . .
O6 O 0.5437(6) 0.50059(17) 0.19467(13) 0.0343(9) Uani 1 1 d . . . . .
H19 H 0.626632 0.480029 0.210954 0.052 Uiso 1 1 calc R U . . .
O2 O 0.8653(6) 0.44593(17) 0.23563(14) 0.0367(9) Uani 1 1 d . . . . .
H37 H 0.965942 0.468150 0.239187 0.055 Uiso 1 1 calc R U . . .
O5 O 0.9392(6) 0.50222(17) 0.11110(15) 0.0429(10) Uani 1 1 d . . . . .
O3 O 0.5198(6) 0.62258(19) 0.28278(16) 0.0484(11) Uani 1 1 d . . . . .
O1 O 1.2024(7) 0.3530(2) 0.28702(18) 0.0627(14) Uani 1 1 d . . . . .
C27 C 0.6658(8) 0.4417(2) 0.12335(19) 0.0263(12) Uani 1 1 d . . . . .
C3 C 0.9524(9) 0.4128(2) 0.3188(2) 0.0332(14) Uani 1 1 d . . . . .
C32 C 0.8552(8) 0.4454(2) 0.1061(2) 0.0321(13) Uani 1 1 d . . . . .
C28 C 0.5649(8) 0.3869(2) 0.12205(19) 0.0297(12) Uani 1 1 d . . . . .
H20 H 0.432770 0.384571 0.134293 0.036 Uiso 1 1 calc R U . . .
C29 C 0.6572(8) 0.3346(2) 0.1027(2) 0.0322(13) Uani 1 1 d . . . . .
C17 C 0.2902(9) 0.6983(2) 0.1526(2) 0.0315(13) Uani 1 1 d . . . . .
C14 C 0.1987(9) 0.5812(2) 0.2587(2) 0.0329(13) Uani 1 1 d . . . . .
C2 C 0.8803(9) 0.3941(3) 0.2680(2) 0.0367(14) Uani 1 1 d . . . . .
C15 C 0.2727(8) 0.6304(2) 0.2242(2) 0.0315(13) Uani 1 1 d . . . . .
C4 C 0.8706(9) 0.4494(2) 0.3550(2) 0.0348(14) Uani 1 1 d . . . . .
H38 H 0.741645 0.465879 0.349975 0.042 Uiso 1 1 calc R U . . .
C26 C 0.6033(8) 0.5029(2) 0.1432(2) 0.0320(13) Uani 1 1 d . . . . .
C16 C 0.1899(9) 0.6546(2) 0.1812(2) 0.0350(14) Uani 1 1 d . . . . .
H2 H 0.062059 0.641247 0.170983 0.042 Uiso 1 1 calc R U . . .
C20 C 0.4545(9) 0.6505(3) 0.2398(2) 0.0362(14) Uani 1 1 d . . . . .
C5 C 0.9727(10) 0.4630(2) 0.3990(2) 0.0391(14) Uani 1 1 d . . . . .
C18 C 0.4764(9) 0.7171(3) 0.1711(2) 0.0432(16) Uani 1 1 d . . . . .
H3 H 0.547921 0.747154 0.152955 0.052 Uiso 1 1 calc R U . . .
C8 C 1.1376(10) 0.3886(3) 0.3256(2) 0.0446(16) Uani 1 1 d . . . . .
C30 C 0.8502(9) 0.3415(2) 0.0847(2) 0.0394(15) Uani 1 1 d . . . . .
H21 H 0.914142 0.306695 0.070897 0.047 Uiso 1 1 calc R U . . .
C21 C 0.0002(9) 0.5942(3) 0.2828(2) 0.0424(16) Uani 1 1 d . . . . .
H4 H -0.103428 0.595201 0.257184 0.064 Uiso 1 1 calc R U . . .
H5 H 0.005496 0.633730 0.299828 0.064 Uiso 1 1 calc R U . . .
H6 H -0.030092 0.562039 0.307016 0.064 Uiso 1 1 calc R U . . .
C25 C 0.7964(9) 0.5398(2) 0.1369(2) 0.0389(15) Uani 1 1 d . . . . .
H22 H 0.769950 0.577361 0.117445 0.047 Uiso 1 1 calc R U . . .
H23 H 0.848873 0.551780 0.169882 0.047 Uiso 1 1 calc R U . . .
C13 C 0.3720(9) 0.5782(3) 0.2964(2) 0.0449(16) Uani 1 1 d . . . . .
H7 H 0.322296 0.586849 0.330373 0.054 Uiso 1 1 calc R U . . .
H8 H 0.431055 0.536853 0.296252 0.054 Uiso 1 1 calc R U . . .
C31 C 0.9547(9) 0.3964(2) 0.0858(2) 0.0428(15) Uani 1 1 d . . . . .
H24 H 1.086105 0.399866 0.073245 0.051 Uiso 1 1 calc R U . . .
C19 C 0.5613(9) 0.6940(3) 0.2147(3) 0.0488(17) Uani 1 1 d . . . . .
H9 H 0.686701 0.707742 0.226332 0.059 Uiso 1 1 calc R U . . .
C33 C 0.4303(9) 0.5303(2) 0.1148(2) 0.0415(16) Uani 1 1 d . . . . .
H25 H 0.312244 0.504827 0.119578 0.062 Uiso 1 1 calc R U . . .
H26 H 0.462930 0.532305 0.079309 0.062 Uiso 1 1 calc R U . . .
H27 H 0.403762 0.571569 0.127342 0.062 Uiso 1 1 calc R U . . .
C34 C 0.3815(9) 0.2554(3) 0.0403(2) 0.0478(17) Uani 1 1 d . . . . .
H28 H 0.288926 0.289849 0.038409 0.072 Uiso 1 1 calc R U . . .
H29 H 0.307010 0.217014 0.039282 0.072 Uiso 1 1 calc R U . . .
H30 H 0.473551 0.257073 0.012096 0.072 Uiso 1 1 calc R U . . .
C6 C 1.1616(10) 0.4375(3) 0.4042(3) 0.0579(19) Uani 1 1 d . . . . .
H39 H 1.234438 0.445714 0.433712 0.070 Uiso 1 1 calc R U . . .
C35 C 0.3437(11) 0.2538(3) 0.1517(2) 0.061(2) Uani 1 1 d . . . . .
H31 H 0.234701 0.282707 0.146506 0.091 Uiso 1 1 calc R U . . .
H32 H 0.411132 0.263238 0.183136 0.091 Uiso 1 1 calc R U . . .
H33 H 0.290480 0.212160 0.153133 0.091 Uiso 1 1 calc R U . . .
C36 C 0.7105(10) 0.1973(3) 0.1017(3) 0.061(2) Uani 1 1 d . . . . .
H34 H 0.642952 0.157789 0.099492 0.091 Uiso 1 1 calc R U . . .
H35 H 0.784062 0.199648 0.133159 0.091 Uiso 1 1 calc R U . . .
H36 H 0.802929 0.201630 0.073752 0.091 Uiso 1 1 calc R U . . .
C22 C 0.3094(11) 0.7983(3) 0.0730(3) 0.060(2) Uani 1 1 d . . . . .
H10 H 0.275216 0.829299 0.097906 0.091 Uiso 1 1 calc R U . . .
H11 H 0.259162 0.810878 0.040355 0.091 Uiso 1 1 calc R U . . .
H12 H 0.454049 0.793764 0.071459 0.091 Uiso 1 1 calc R U . . .
C11 C 0.7161(11) 0.4562(3) 0.4914(2) 0.057(2) Uani 1 1 d . . . . .
H40 H 0.609642 0.436484 0.472426 0.086 Uiso 1 1 calc R U . . .
H41 H 0.658714 0.479367 0.519095 0.086 Uiso 1 1 calc R U . . .
H42 H 0.806561 0.425071 0.504452 0.086 Uiso 1 1 calc R U . . .
C9 C 0.6765(11) 0.3649(3) 0.2671(2) 0.061(2) Uani 1 1 d . . . . .
H43 H 0.578625 0.393599 0.280528 0.091 Uiso 1 1 calc R U . . .
H44 H 0.677858 0.327758 0.287395 0.091 Uiso 1 1 calc R U . . .
H45 H 0.641215 0.354497 0.232681 0.091 Uiso 1 1 calc R U . . .
C23 C -0.0782(9) 0.7331(3) 0.0937(3) 0.062(2) Uani 1 1 d . . . . .
H13 H -0.139064 0.694217 0.103242 0.093 Uiso 1 1 calc R U . . .
H14 H -0.127961 0.745544 0.060909 0.093 Uiso 1 1 calc R U . . .
H15 H -0.111965 0.764388 0.118370 0.093 Uiso 1 1 calc R U . . .
C7 C 1.2488(10) 0.4002(3) 0.3677(3) 0.065(2) Uani 1 1 d . . . . .
H46 H 1.378122 0.383648 0.371905 0.078 Uiso 1 1 calc R U . . .
C24 C 0.2542(13) 0.6658(3) 0.0431(3) 0.070(2) Uani 1 1 d . . . . .
H16 H 0.398597 0.662340 0.039529 0.105 Uiso 1 1 calc R U . . .
H17 H 0.195932 0.677921 0.011136 0.105 Uiso 1 1 calc R U . . .
H18 H 0.199376 0.626301 0.053314 0.105 Uiso 1 1 calc R U . . .
C10 C 1.0532(12) 0.5498(3) 0.4855(2) 0.073(3) Uani 1 1 d . . . . .
H47 H 1.145229 0.519978 0.499845 0.110 Uiso 1 1 calc R U . . .
H48 H 0.992124 0.573728 0.512259 0.110 Uiso 1 1 calc R U . . .
H49 H 1.125860 0.577163 0.463064 0.110 Uiso 1 1 calc R U . . .
C12 C 0.6767(15) 0.5649(3) 0.4225(3) 0.096(3) Uani 1 1 d . . . . .
H50 H 0.748785 0.594412 0.401875 0.144 Uiso 1 1 calc R U . . .
H51 H 0.607741 0.586498 0.449413 0.144 Uiso 1 1 calc R U . . .
H52 H 0.579533 0.543145 0.401952 0.144 Uiso 1 1 calc R U . . .
C1 C 1.0441(13) 0.3505(4) 0.2517(3) 0.080(3) Uani 1 1 d . . . . .
H53 H 0.991254 0.308370 0.249742 0.096 Uiso 1 1 calc R U . . .
H54 H 1.093497 0.362200 0.218343 0.096 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
Si3 C34 1.853(6) . ?
Si3 C35 1.860(6) . ?
Si3 C36 1.862(6) . ?
Si3 C29 1.871(5) . ?
Si2 C24 1.852(7) . ?
Si2 C23 1.854(6) . ?
Si2 C22 1.862(6) . ?
Si2 C17 1.862(6) . ?
Si1 C11 1.862(7) . ?
Si1 C10 1.866(7) . ?
Si1 C12 1.869(8) . ?
Si1 C5 1.870(6) . ?
O4 C14 1.436(6) . ?
O4 H1 0.8400 . ?
O6 C26 1.440(6) . ?
O6 H19 0.8400 . ?
O2 C2 1.433(6) . ?
O2 H37 0.8400 . ?
O5 C32 1.375(6) . ?
O5 C25 1.443(6) . ?
O3 C20 1.377(6) . ?
O3 C13 1.438(7) . ?
O1 C8 1.368(7) . ?
O1 C1 1.427(8) . ?
C27 C32 1.360(7) . ?
C27 C28 1.379(7) . ?
C27 C26 1.504(7) . ?
C3 C8 1.368(8) . ?
C3 C4 1.375(7) . ?
C3 C2 1.505(8) . ?
C32 C31 1.377(7) . ?
C28 C29 1.404(7) . ?
C28 H20 0.9500 . ?
C29 C30 1.394(8) . ?
C17 C16 1.402(7) . ?
C17 C18 1.410(8) . ?
C14 C15 1.505(7) . ?
C14 C21 1.513(8) . ?
C14 C13 1.547(8) . ?
C2 C9 1.515(8) . ?
C2 C1 1.523(9) . ?
C15 C20 1.367(8) . ?
C15 C16 1.386(7) . ?
C4 C5 1.399(7) . ?
C4 H38 0.9500 . ?
C26 C33 1.515(7) . ?
C26 C25 1.540(7) . ?
C16 H2 0.9500 . ?
C20 C19 1.372(8) . ?
C5 C6 1.397(8) . ?
C18 C19 1.397(8) . ?
C18 H3 0.9500 . ?
C8 C7 1.381(9) . ?
C30 C31 1.395(7) . ?
C30 H21 0.9500 . ?
C21 H4 0.9800 . ?
C21 H5 0.9800 . ?
C21 H6 0.9800 . ?
C25 H22 0.9900 . ?
C25 H23 0.9900 . ?
C13 H7 0.9900 . ?
C13 H8 0.9900 . ?
C31 H24 0.9500 . ?
C19 H9 0.9500 . ?
C33 H25 0.9800 . ?
C33 H26 0.9800 . ?
C33 H27 0.9800 . ?
C34 H28 0.9800 . ?
C34 H29 0.9800 . ?
C34 H30 0.9800 . ?
C6 C7 1.402(9) . ?
C6 H39 0.9500 . ?
C35 H31 0.9800 . ?
C35 H32 0.9800 . ?
C35 H33 0.9800 . ?
C36 H34 0.9800 . ?
C36 H35 0.9800 . ?
C36 H36 0.9800 . ?
C22 H10 0.9800 . ?
C22 H11 0.9800 . ?
C22 H12 0.9800 . ?
C11 H40 0.9800 . ?
C11 H41 0.9800 . ?
C11 H42 0.9800 . ?
C9 H43 0.9800 . ?
C9 H44 0.9800 . ?
C9 H45 0.9800 . ?
C23 H13 0.9800 . ?
C23 H14 0.9800 . ?
C23 H15 0.9800 . ?
C7 H46 0.9500 . ?
C24 H16 0.9800 . ?
C24 H17 0.9800 . ?
C24 H18 0.9800 . ?
C10 H47 0.9800 . ?
C10 H48 0.9800 . ?
C10 H49 0.9800 . ?
C12 H50 0.9800 . ?
C12 H51 0.9800 . ?
C12 H52 0.9800 . ?
C1 H53 0.9900 . ?
C1 H54 0.9900 . ?

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
C34 Si3 C35 107.9(3) . . ?
C34 Si3 C36 109.9(3) . . ?
C35 Si3 C36 111.3(3) . . ?
C34 Si3 C29 109.5(3) . . ?
C35 Si3 C29 109.9(3) . . ?
C36 Si3 C29 108.4(3) . . ?
C24 Si2 C23 108.4(4) . . ?
C24 Si2 C22 109.6(3) . . ?
C23 Si2 C22 109.1(3) . . ?
C24 Si2 C17 109.5(3) . . ?
C23 Si2 C17 109.7(3) . . ?
C22 Si2 C17 110.6(3) . . ?
C11 Si1 C10 110.5(3) . . ?
C11 Si1 C12 108.4(4) . . ?
C10 Si1 C12 110.3(4) . . ?
C11 Si1 C5 108.3(3) . . ?
C10 Si1 C5 109.4(3) . . ?
C12 Si1 C5 109.8(3) . . ?
C14 O4 H1 109.5 . . ?
C26 O6 H19 109.5 . . ?
C2 O2 H37 109.5 . . ?
C32 O5 C25 106.8(4) . . ?
C20 O3 C13 106.9(4) . . ?
C8 O1 C1 106.6(5) . . ?
C32 C27 C28 120.4(5) . . ?
C32 C27 C26 109.2(5) . . ?
C28 C27 C26 130.3(5) . . ?
C8 C3 C4 119.8(6) . . ?
C8 C3 C2 108.0(5) . . ?
C4 C3 C2 132.1(6) . . ?
C27 C32 O5 114.0(5) . . ?
C27 C32 C31 123.0(5) . . ?
O5 C32 C31 122.9(5) . . ?
C27 C28 C29 120.1(5) . . ?
C27 C28 H20 120.0 . . ?
C29 C28 H20 120.0 . . ?
C30 C29 C28 116.9(5) . . ?
C30 C29 Si3 121.8(4) . . ?
C28 C29 Si3 121.2(4) . . ?
C16 C17 C18 115.7(5) . . ?
C16 C17 Si2 122.0(4) . . ?
C18 C17 Si2 122.0(5) . . ?
O4 C14 C15 111.7(4) . . ?
O4 C14 C21 105.9(5) . . ?
C15 C14 C21 115.0(5) . . ?
O4 C14 C13 110.6(4) . . ?
C15 C14 C13 100.5(5) . . ?
C21 C14 C13 113.3(5) . . ?
O2 C2 C3 110.9(4) . . ?
O2 C2 C9 105.1(5) . . ?
C3 C2 C9 114.9(5) . . ?
O2 C2 C1 112.0(5) . . ?
C3 C2 C1 101.3(5) . . ?
C9 C2 C1 112.8(6) . . ?
C20 C15 C16 119.5(6) . . ?
C20 C15 C14 109.8(5) . . ?
C16 C15 C14 130.7(5) . . ?
C3 C4 C5 121.6(6) . . ?
C3 C4 H38 119.2 . . ?
C5 C4 H38 119.2 . . ?
O6 C26 C27 112.7(4) . . ?
O6 C26 C33 106.4(4) . . ?
C27 C26 C33 113.0(5) . . ?
O6 C26 C25 111.1(4) . . ?
C27 C26 C25 101.1(4) . . ?
C33 C26 C25 112.7(5) . . ?
C15 C16 C17 121.6(6) . . ?
C15 C16 H2 119.2 . . ?
C17 C16 H2 119.2 . . ?
C15 C20 C19 122.8(6) . . ?
C15 C20 O3 113.6(5) . . ?
C19 C20 O3 123.6(6) . . ?
C6 C5 C4 116.5(6) . . ?
C6 C5 Si1 121.8(5) . . ?
C4 C5 Si1 121.6(5) . . ?
C19 C18 C17 123.6(6) . . ?
C19 C18 H3 118.2 . . ?
C17 C18 H3 118.2 . . ?
C3 C8 O1 114.3(6) . . ?
C3 C8 C7 122.2(6) . . ?
O1 C8 C7 123.5(6) . . ?
C29 C30 C31 123.8(5) . . ?
C29 C30 H21 118.1 . . ?
C31 C30 H21 118.1 . . ?
C14 C21 H4 109.5 . . ?
C14 C21 H5 109.5 . . ?
H4 C21 H5 109.5 . . ?
C14 C21 H6 109.5 . . ?
H4 C21 H6 109.5 . . ?
H5 C21 H6 109.5 . . ?
O5 C25 C26 108.5(4) . . ?
O5 C25 H22 110.0 . . ?
C26 C25 H22 110.0 . . ?
O5 C25 H23 110.0 . . ?
C26 C25 H23 110.0 . . ?
H22 C25 H23 108.4 . . ?
O3 C13 C14 109.1(5) . . ?
O3 C13 H7 109.9 . . ?
C14 C13 H7 109.9 . . ?
O3 C13 H8 109.9 . . ?
C14 C13 H8 109.9 . . ?
H7 C13 H8 108.3 . . ?
C32 C31 C30 115.8(5) . . ?
C32 C31 H24 122.1 . . ?
C30 C31 H24 122.1 . . ?
C20 C19 C18 116.7(6) . . ?
C20 C19 H9 121.7 . . ?
C18 C19 H9 121.7 . . ?
C26 C33 H25 109.5 . . ?
C26 C33 H26 109.5 . . ?
H25 C33 H26 109.5 . . ?
C26 C33 H27 109.5 . . ?
H25 C33 H27 109.5 . . ?
H26 C33 H27 109.5 . . ?
Si3 C34 H28 109.5 . . ?
Si3 C34 H29 109.5 . . ?
H28 C34 H29 109.5 . . ?
Si3 C34 H30 109.5 . . ?
H28 C34 H30 109.5 . . ?
H29 C34 H30 109.5 . . ?
C5 C6 C7 123.0(6) . . ?
C5 C6 H39 118.5 . . ?
C7 C6 H39 118.5 . . ?
Si3 C35 H31 109.5 . . ?
Si3 C35 H32 109.5 . . ?
H31 C35 H32 109.5 . . ?
Si3 C35 H33 109.5 . . ?
H31 C35 H33 109.5 . . ?
H32 C35 H33 109.5 . . ?
Si3 C36 H34 109.5 . . ?
Si3 C36 H35 109.5 . . ?
H34 C36 H35 109.5 . . ?
Si3 C36 H36 109.5 . . ?
H34 C36 H36 109.5 . . ?
H35 C36 H36 109.5 . . ?
Si2 C22 H10 109.5 . . ?
Si2 C22 H11 109.5 . . ?
H10 C22 H11 109.5 . . ?
Si2 C22 H12 109.5 . . ?
H10 C22 H12 109.5 . . ?
H11 C22 H12 109.5 . . ?
Si1 C11 H40 109.5 . . ?
Si1 C11 H41 109.5 . . ?
H40 C11 H41 109.5 . . ?
Si1 C11 H42 109.5 . . ?
H40 C11 H42 109.5 . . ?
H41 C11 H42 109.5 . . ?
C2 C9 H43 109.5 . . ?
C2 C9 H44 109.5 . . ?
H43 C9 H44 109.5 . . ?
C2 C9 H45 109.5 . . ?
H43 C9 H45 109.5 . . ?
H44 C9 H45 109.5 . . ?
Si2 C23 H13 109.5 . . ?
Si2 C23 H14 109.5 . . ?
H13 C23 H14 109.5 . . ?
Si2 C23 H15 109.5 . . ?
H13 C23 H15 109.5 . . ?
H14 C23 H15 109.5 . . ?
C8 C7 C6 116.8(6) . . ?
C8 C7 H46 121.6 . . ?
C6 C7 H46 121.6 . . ?
Si2 C24 H16 109.5 . . ?
Si2 C24 H17 109.5 . . ?
H16 C24 H17 109.5 . . ?
Si2 C24 H18 109.5 . . ?
H16 C24 H18 109.5 . . ?
H17 C24 H18 109.5 . . ?
Si1 C10 H47 109.5 . . ?
Si1 C10 H48 109.5 . . ?
H47 C10 H48 109.5 . . ?
Si1 C10 H49 109.5 . . ?
H47 C10 H49 109.5 . . ?
H48 C10 H49 109.5 . . ?
Si1 C12 H50 109.5 . . ?
Si1 C12 H51 109.5 . . ?
H50 C12 H51 109.5 . . ?
Si1 C12 H52 109.5 . . ?
H50 C12 H52 109.5 . . ?
H51 C12 H52 109.5 . . ?
O1 C1 C2 109.1(5) . . ?
O1 C1 H53 109.9 . . ?
C2 C1 H53 109.9 . . ?
O1 C1 H54 109.9 . . ?
C2 C1 H54 109.9 . . ?
H53 C1 H54 108.3 . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
C28 C27 C32 O5 -178.1(5) . . . . ?
C26 C27 C32 O5 0.1(6) . . . . ?
C28 C27 C32 C31 1.5(9) . . . . ?
C26 C27 C32 C31 179.8(5) . . . . ?
C25 O5 C32 C27 3.5(6) . . . . ?
C25 O5 C32 C31 -176.1(5) . . . . ?
C32 C27 C28 C29 -0.3(8) . . . . ?
C26 C27 C28 C29 -178.2(5) . . . . ?
C27 C28 C29 C30 -0.9(8) . . . . ?
C27 C28 C29 Si3 -179.0(4) . . . . ?
C34 Si3 C29 C30 -91.0(5) . . . . ?
C35 Si3 C29 C30 150.7(5) . . . . ?
C36 Si3 C29 C30 28.9(6) . . . . ?
C34 Si3 C29 C28 87.0(5) . . . . ?
C35 Si3 C29 C28 -31.4(5) . . . . ?
C36 Si3 C29 C28 -153.1(5) . . . . ?
C24 Si2 C17 C16 -78.2(6) . . . . ?
C23 Si2 C17 C16 40.6(5) . . . . ?
C22 Si2 C17 C16 161.0(5) . . . . ?
C24 Si2 C17 C18 95.6(5) . . . . ?
C23 Si2 C17 C18 -145.6(5) . . . . ?
C22 Si2 C17 C18 -25.2(6) . . . . ?
C8 C3 C2 O2 -112.6(6) . . . . ?
C4 C3 C2 O2 64.2(8) . . . . ?
C8 C3 C2 C9 128.4(6) . . . . ?
C4 C3 C2 C9 -54.8(8) . . . . ?
C8 C3 C2 C1 6.5(7) . . . . ?
C4 C3 C2 C1 -176.7(7) . . . . ?
O4 C14 C15 C20 -116.9(5) . . . . ?
C21 C14 C15 C20 122.4(5) . . . . ?
C13 C14 C15 C20 0.4(6) . . . . ?
O4 C14 C15 C16 61.0(8) . . . . ?
C21 C14 C15 C16 -59.7(8) . . . . ?
C13 C14 C15 C16 178.3(5) . . . . ?
C8 C3 C4 C5 0.2(9) . . . . ?
C2 C3 C4 C5 -176.3(6) . . . . ?
C32 C27 C26 O6 -122.1(5) . . . . ?
C28 C27 C26 O6 56.0(8) . . . . ?
C32 C27 C26 C33 117.3(5) . . . . ?
C28 C27 C26 C33 -64.6(7) . . . . ?
C32 C27 C26 C25 -3.5(6) . . . . ?
C28 C27 C26 C25 174.6(5) . . . . ?
C20 C15 C16 C17 1.6(8) . . . . ?
C14 C15 C16 C17 -176.1(5) . . . . ?
C18 C17 C16 C15 -1.9(8) . . . . ?
Si2 C17 C16 C15 172.3(4) . . . . ?
C16 C15 C20 C19 -0.1(9) . . . . ?
C14 C15 C20 C19 178.0(5) . . . . ?
C16 C15 C20 O3 -179.8(5) . . . . ?
C14 C15 C20 O3 -1.7(7) . . . . ?
C13 O3 C20 C15 2.2(6) . . . . ?
C13 O3 C20 C19 -177.5(6) . . . . ?
C3 C4 C5 C6 0.0(8) . . . . ?
C3 C4 C5 Si1 -176.4(4) . . . . ?
C11 Si1 C5 C6 -89.0(6) . . . . ?
C10 Si1 C5 C6 31.5(6) . . . . ?
C12 Si1 C5 C6 152.8(6) . . . . ?
C11 Si1 C5 C4 87.2(5) . . . . ?
C10 Si1 C5 C4 -152.3(5) . . . . ?
C12 Si1 C5 C4 -31.0(6) . . . . ?
C16 C17 C18 C19 1.0(8) . . . . ?
Si2 C17 C18 C19 -173.2(5) . . . . ?
C4 C3 C8 O1 179.9(5) . . . . ?
C2 C3 C8 O1 -2.8(7) . . . . ?
C4 C3 C8 C7 -0.7(10) . . . . ?
C2 C3 C8 C7 176.6(6) . . . . ?
C1 O1 C8 C3 -2.6(8) . . . . ?
C1 O1 C8 C7 178.0(7) . . . . ?
C28 C29 C30 C31 1.1(9) . . . . ?
Si3 C29 C30 C31 179.1(5) . . . . ?
C32 O5 C25 C26 -5.7(6) . . . . ?
O6 C26 C25 O5 125.3(5) . . . . ?
C27 C26 C25 O5 5.5(6) . . . . ?
C33 C26 C25 O5 -115.5(5) . . . . ?
C20 O3 C13 C14 -1.8(6) . . . . ?
O4 C14 C13 O3 119.0(5) . . . . ?
C15 C14 C13 O3 0.8(6) . . . . ?
C21 C14 C13 O3 -122.4(5) . . . . ?
C27 C32 C31 C30 -1.3(9) . . . . ?
O5 C32 C31 C30 178.3(5) . . . . ?
C29 C30 C31 C32 0.0(9) . . . . ?
C15 C20 C19 C18 -0.8(9) . . . . ?
O3 C20 C19 C18 178.8(5) . . . . ?
C17 C18 C19 C20 0.3(9) . . . . ?
C4 C5 C6 C7 0.3(10) . . . . ?
Si1 C5 C6 C7 176.6(5) . . . . ?
C3 C8 C7 C6 0.9(11) . . . . ?
O1 C8 C7 C6 -179.7(6) . . . . ?
C5 C6 C7 C8 -0.7(11) . . . . ?
C8 O1 C1 C2 6.8(8) . . . . ?
O2 C2 C1 O1 110.2(6) . . . . ?
C3 C2 C1 O1 -8.1(7) . . . . ?
C9 C2 C1 O1 -131.5(6) . . . . ?

_refine_diff_density_max         0.220
_refine_diff_density_min         -0.225
_refine_diff_density_rms         0.051




_exptl_crystal_recrystallization_method 
'Re-crystallisation from solvent: hot hexane'
