# Electronic Supplementary Material (ESI) for Journal of Materials Chemistry A.
# 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_Ales1
_database_code_depnum_ccdc_archive 'CCDC 1038898'
_audit_update_record             
;
2014-12-11 deposited with the CCDC.
2015-03-06 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2013
_chemical_name_systematic        
; 
 ? 
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C37 H48 O8 P2 Si4'
_chemical_formula_weight         795.05

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'
P P 0.1023 0.0942 '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/n'
_space_group_name_Hall           '-P 2yn'

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

_cell_length_a                   10.2590(3)
_cell_length_b                   11.6835(3)
_cell_length_c                   16.8330(4)
_cell_angle_alpha                90
_cell_angle_beta                 92.200(2)
_cell_angle_gamma                90
_cell_volume                     2016.13(9)
_cell_formula_units_Z            2
_cell_measurement_temperature    120(2)
_cell_measurement_reflns_used    5192
_cell_measurement_theta_min      3.0740
_cell_measurement_theta_max      27.6379

_exptl_crystal_description       block
_exptl_crystal_colour            coulourless
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.310
_exptl_crystal_F_000             840
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.500
_exptl_crystal_size_mid          0.500
_exptl_crystal_size_min          0.300
_exptl_absorpt_coefficient_mu    0.275
_shelx_estimated_absorpt_T_min   0.875
_shelx_estimated_absorpt_T_max   0.922
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.96221
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_process_details   
; 
'Mon May 07 21:37:24 2012' 
;

_exptl_special_details           
; 
 ? 
;

_diffrn_ambient_temperature      120(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   ?
_diffrn_measurement_device_type  'Xcalibur, Sapphire2, large Be window'
_diffrn_measurement_method       'ω scans'
_diffrn_detector_area_resol_mean 8.4353
_diffrn_reflns_number            7506
_diffrn_reflns_av_unetI/netI     0.0236
_diffrn_reflns_av_R_equivalents  0.0121
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_k_min       -8
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_theta_min         3.488
_diffrn_reflns_theta_max         25.344
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.997
_diffrn_measured_fraction_theta_full 0.996
_diffrn_reflns_Laue_measured_fraction_max 0.997
_diffrn_reflns_Laue_measured_fraction_full 0.996
_diffrn_reflns_point_group_measured_fraction_max 0.997
_diffrn_reflns_point_group_measured_fraction_full 0.996
_reflns_number_total             3682
_reflns_number_gt                3049
_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, Oxford Diffraction Ltd.,
Version 1.171.33.52 (release 06-11-2009 CrysAlis171 .NET)
(compiled Nov  6 2009,16:24:50)
;
_computing_cell_refinement       
;
CrysAlisPro, Oxford Diffraction Ltd.,
Version 1.171.33.52 (release 06-11-2009 CrysAlis171 .NET)
(compiled Nov  6 2009,16:24:50)
;
_computing_data_reduction        
;
CrysAlisPro, Oxford Diffraction Ltd.,
Version 1.171.33.52 (release 06-11-2009 CrysAlis171 .NET)
(compiled Nov  6 2009,16:24:50)
;
_computing_structure_solution    'SHELXS-2013 (Sheldrick, 2013)'
_computing_structure_refinement  'SHELXL-2013 (Sheldrick, 2013)'
_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)+(0.0565P)²+0.0488P] 
 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_number_reflns         3682
_refine_ls_number_parameters     266
_refine_ls_number_restraints     51
_refine_ls_R_factor_all          0.0383
_refine_ls_R_factor_gt           0.0306
_refine_ls_wR_factor_ref         0.0906
_refine_ls_wR_factor_gt          0.0882
_refine_ls_goodness_of_fit_ref   1.112
_refine_ls_restrained_S_all      1.125
_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
P1 P 0.10148(4) -0.06564(4) 0.40210(2) 0.01744(13) Uani 1 1 d . . . . .
Si1 Si 0.18486(4) 0.03511(4) 0.56377(3) 0.01761(13) Uani 1 1 d . . . . .
Si3 Si 0.16534(5) 0.11549(4) 0.28541(3) 0.02466(15) Uani 1 1 d . . . . .
O1 O 0.16931(12) -0.05014(10) 0.48602(7) 0.0233(3) Uani 1 1 d . . . . .
O2 O 0.09374(11) 0.05541(10) 0.36478(7) 0.0216(3) Uani 1 1 d . . . . .
O3 O -0.04286(11) -0.09512(10) 0.42093(7) 0.0228(3) Uani 1 1 d . . . . .
O4 O 0.16367(12) -0.15335(11) 0.35570(7) 0.0287(3) Uani 1 1 d . . . . .
C1 C 0.23785(16) -0.05788(14) 0.64723(10) 0.0194(4) Uani 1 1 d . . . . .
C2 C 0.31042(17) -0.15607(16) 0.63409(11) 0.0265(4) Uani 1 1 d . . . . .
H2 H 0.3316 -0.1758 0.5814 0.032 Uiso 1 1 calc R U . . .
C3 C 0.35230(19) -0.22553(17) 0.69652(12) 0.0335(5) Uani 1 1 d . . . . .
H3 H 0.4020 -0.2922 0.6864 0.040 Uiso 1 1 calc R U . . .
C4 C 0.32222(19) -0.19833(17) 0.77346(12) 0.0330(5) Uani 1 1 d . . . . .
H4 H 0.3513 -0.2460 0.8163 0.040 Uiso 1 1 calc R U . . .
C5 C 0.2499(2) -0.10183(18) 0.78789(11) 0.0347(5) Uani 1 1 d . . . . .
H5 H 0.2279 -0.0832 0.8407 0.042 Uiso 1 1 calc R U . . .
C6 C 0.20922(19) -0.03216(16) 0.72560(10) 0.0277(4) Uani 1 1 d . . . . .
H6 H 0.1606 0.0349 0.7363 0.033 Uiso 1 1 calc R U . . .
C7 C 0.29704(16) 0.15398(14) 0.54380(9) 0.0189(4) Uani 1 1 d . . . . .
C8 C 0.42955(17) 0.14500(16) 0.56523(10) 0.0244(4) Uani 1 1 d . . . . .
H8 H 0.4613 0.0774 0.5907 0.029 Uiso 1 1 calc R U . . .
C9 C 0.51554(18) 0.23314(17) 0.54987(11) 0.0282(4) Uani 1 1 d . . . . .
H9 H 0.6052 0.2262 0.5655 0.034 Uiso 1 1 calc R U . . .
C10 C 0.47058(19) 0.33079(16) 0.51190(11) 0.0297(4) Uani 1 1 d . . . . .
H10 H 0.5299 0.3903 0.5000 0.036 Uiso 1 1 calc R U . . .
C11 C 0.33958(19) 0.34251(16) 0.49114(11) 0.0285(4) Uani 1 1 d . . . . .
H11 H 0.3087 0.4106 0.4660 0.034 Uiso 1 1 calc R U . . .
C12 C 0.25340(17) 0.25509(15) 0.50699(9) 0.0217(4) Uani 1 1 d . . . . .
H12 H 0.1635 0.2638 0.4927 0.026 Uiso 1 1 calc R U . . .
C13 C 0.3424(2) 0.1147(2) 0.30722(13) 0.0461(6) Uani 1 1 d . . . . .
H13A H 0.3865 0.1565 0.2655 0.069 Uiso 1 1 calc R U . . .
H13B H 0.3740 0.0356 0.3092 0.069 Uiso 1 1 calc R U . . .
H13C H 0.3612 0.1518 0.3586 0.069 Uiso 1 1 calc R U . . .
C14 C 0.1253(2) 0.02878(18) 0.19609(11) 0.0343(5) Uani 1 1 d . . . . .
H14A H 0.1777 0.0549 0.1521 0.052 Uiso 1 1 calc R U . . .
H14B H 0.0325 0.0373 0.1814 0.052 Uiso 1 1 calc R U . . .
H14C H 0.1447 -0.0519 0.2073 0.052 Uiso 1 1 calc R U . . .
C15 C 0.0961(2) 0.26017(17) 0.27945(11) 0.0382(5) Uani 1 1 d . . . . .
H15A H 0.1325 0.3011 0.2346 0.057 Uiso 1 1 calc R U . . .
H15B H 0.1177 0.3015 0.3289 0.057 Uiso 1 1 calc R U . . .
H15C H 0.0011 0.2552 0.2717 0.057 Uiso 1 1 calc R U . . .
C16 C -0.0430(4) 0.4520(4) 0.4912(3) 0.0380(10) Uani 0.5 1 d D U P A -1
C17 C -0.004(2) 0.5122(15) 0.4234(7) 0.042(2) Uani 0.5 1 d D U P A -1
H17 H -0.0345 0.4898 0.3718 0.051 Uiso 0.5 1 calc R U P A -1
C18 C 0.0786(4) 0.6026(4) 0.4333(3) 0.0449(11) Uani 0.5 1 d D U P A -1
H18 H 0.1041 0.6415 0.3868 0.054 Uiso 0.5 1 calc R U P A -1
C19 C 0.1269(11) 0.6413(9) 0.5038(5) 0.0390(17) Uani 0.5 1 d D U P A -1
H19 H 0.1863 0.7037 0.5070 0.047 Uiso 0.5 1 calc R U P A -1
C20 C 0.0873(5) 0.5876(5) 0.5700(3) 0.0476(11) Uani 0.5 1 d D U P A -1
H20A H 0.0478 0.6469 0.6036 0.057 Uiso 0.5 1 calc R U P A -1
H20B H 0.1670 0.5607 0.5993 0.057 Uiso 0.5 1 calc R U P A -1
C21 C -0.001(2) 0.4939(16) 0.5666(6) 0.039(3) Uani 0.5 1 d D U P A -1
H21A H 0.0403 0.4297 0.5965 0.047 Uiso 0.5 1 calc R U P A -1
H21B H -0.0794 0.5165 0.5952 0.047 Uiso 0.5 1 calc R U P A -1
C22 C -0.1295(15) 0.3536(13) 0.4772(8) 0.096(4) Uani 0.5 1 d D U P A -1
H22A H -0.1593 0.3252 0.5282 0.143 Uiso 0.5 1 calc R U P A -1
H22B H -0.0820 0.2928 0.4505 0.143 Uiso 0.5 1 calc R U P A -1
H22C H -0.2049 0.3770 0.4436 0.143 Uiso 0.5 1 calc R U P A -1


_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
P1 O4 1.4510(13) . ?
P1 O2 1.5483(12) . ?
P1 O1 1.5611(11) . ?
P1 O3 1.5645(12) . ?
Si1 O3 1.6459(12) 3_556 ?
Si1 O1 1.6476(12) . ?
Si1 C1 1.8414(17) . ?
Si1 C7 1.8428(18) . ?
Si3 O2 1.7008(12) . ?
Si3 C15 1.835(2) . ?
Si3 C13 1.840(2) . ?
Si3 C14 1.8461(19) . ?
O3 Si1 1.6459(12) 3_556 ?
C1 C2 1.390(2) . ?
C1 C6 1.395(2) . ?
C2 C3 1.383(3) . ?
C2 H2 0.9500 . ?
C3 C4 1.380(3) . ?
C3 H3 0.9500 . ?
C4 C5 1.377(3) . ?
C4 H4 0.9500 . ?
C5 C6 1.379(3) . ?
C5 H5 0.9500 . ?
C6 H6 0.9500 . ?
C7 C8 1.397(2) . ?
C7 C12 1.400(2) . ?
C8 C9 1.387(3) . ?
C8 H8 0.9500 . ?
C9 C10 1.378(3) . ?
C9 H9 0.9500 . ?
C10 C11 1.382(3) . ?
C10 H10 0.9500 . ?
C11 C12 1.384(2) . ?
C11 H11 0.9500 . ?
C12 H12 0.9500 . ?
C13 H13A 0.9800 . ?
C13 H13B 0.9800 . ?
C13 H13C 0.9800 . ?
C14 H14A 0.9800 . ?
C14 H14B 0.9800 . ?
C14 H14C 0.9800 . ?
C15 H15A 0.9800 . ?
C15 H15B 0.9800 . ?
C15 H15C 0.9800 . ?
C16 C17 1.411(13) . ?
C16 C21 1.412(13) . ?
C16 C22 1.465(15) . ?
C17 C18 1.36(2) . ?
C17 H17 0.9500 . ?
C18 C19 1.347(10) . ?
C18 H18 0.9500 . ?
C19 C20 1.355(11) . ?
C19 H19 0.9500 . ?
C20 C21 1.420(19) . ?
C20 H20A 0.9900 . ?
C20 H20B 0.9900 . ?
C21 H21A 0.9900 . ?
C21 H21B 0.9900 . ?
C22 H22A 0.9800 . ?
C22 H22B 0.9800 . ?
C22 H22C 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
O4 P1 O2 116.32(7) . . ?
O4 P1 O1 112.28(7) . . ?
O2 P1 O1 105.98(6) . . ?
O4 P1 O3 113.12(7) . . ?
O2 P1 O3 104.42(6) . . ?
O1 P1 O3 103.57(7) . . ?
O3 Si1 O1 108.81(6) 3_556 . ?
O3 Si1 C1 111.66(7) 3_556 . ?
O1 Si1 C1 105.43(7) . . ?
O3 Si1 C7 105.68(7) 3_556 . ?
O1 Si1 C7 110.66(7) . . ?
C1 Si1 C7 114.56(7) . . ?
O2 Si3 C15 104.20(8) . . ?
O2 Si3 C13 107.12(8) . . ?
C15 Si3 C13 113.12(11) . . ?
O2 Si3 C14 108.91(8) . . ?
C15 Si3 C14 112.80(9) . . ?
C13 Si3 C14 110.29(10) . . ?
P1 O1 Si1 144.60(8) . . ?
P1 O2 Si3 132.75(8) . . ?
P1 O3 Si1 142.02(8) . 3_556 ?
C2 C1 C6 117.49(16) . . ?
C2 C1 Si1 120.65(13) . . ?
C6 C1 Si1 121.84(13) . . ?
C3 C2 C1 121.08(18) . . ?
C3 C2 H2 119.5 . . ?
C1 C2 H2 119.5 . . ?
C4 C3 C2 120.25(18) . . ?
C4 C3 H3 119.9 . . ?
C2 C3 H3 119.9 . . ?
C5 C4 C3 119.72(17) . . ?
C5 C4 H4 120.1 . . ?
C3 C4 H4 120.1 . . ?
C4 C5 C6 119.90(18) . . ?
C4 C5 H5 120.1 . . ?
C6 C5 H5 120.1 . . ?
C5 C6 C1 121.56(18) . . ?
C5 C6 H6 119.2 . . ?
C1 C6 H6 119.2 . . ?
C8 C7 C12 117.99(16) . . ?
C8 C7 Si1 120.31(13) . . ?
C12 C7 Si1 121.70(13) . . ?
C9 C8 C7 121.05(17) . . ?
C9 C8 H8 119.5 . . ?
C7 C8 H8 119.5 . . ?
C10 C9 C8 119.81(17) . . ?
C10 C9 H9 120.1 . . ?
C8 C9 H9 120.1 . . ?
C9 C10 C11 120.26(17) . . ?
C9 C10 H10 119.9 . . ?
C11 C10 H10 119.9 . . ?
C10 C11 C12 120.02(17) . . ?
C10 C11 H11 120.0 . . ?
C12 C11 H11 120.0 . . ?
C11 C12 C7 120.84(16) . . ?
C11 C12 H12 119.6 . . ?
C7 C12 H12 119.6 . . ?
Si3 C13 H13A 109.5 . . ?
Si3 C13 H13B 109.5 . . ?
H13A C13 H13B 109.5 . . ?
Si3 C13 H13C 109.5 . . ?
H13A C13 H13C 109.5 . . ?
H13B C13 H13C 109.5 . . ?
Si3 C14 H14A 109.5 . . ?
Si3 C14 H14B 109.5 . . ?
H14A C14 H14B 109.5 . . ?
Si3 C14 H14C 109.5 . . ?
H14A C14 H14C 109.5 . . ?
H14B C14 H14C 109.5 . . ?
Si3 C15 H15A 109.5 . . ?
Si3 C15 H15B 109.5 . . ?
H15A C15 H15B 109.5 . . ?
Si3 C15 H15C 109.5 . . ?
H15A C15 H15C 109.5 . . ?
H15B C15 H15C 109.5 . . ?
C17 C16 C21 117.8(13) . . ?
C17 C16 C22 116.8(9) . . ?
C21 C16 C22 125.3(9) . . ?
C18 C17 C16 118.9(11) . . ?
C18 C17 H17 120.5 . . ?
C16 C17 H17 120.5 . . ?
C19 C18 C17 125.1(8) . . ?
C19 C18 H18 117.5 . . ?
C17 C18 H18 117.5 . . ?
C18 C19 C20 117.2(9) . . ?
C18 C19 H19 121.4 . . ?
C20 C19 H19 121.4 . . ?
C19 C20 C21 122.3(7) . . ?
C19 C20 H20A 106.8 . . ?
C21 C20 H20A 106.8 . . ?
C19 C20 H20B 106.8 . . ?
C21 C20 H20B 106.8 . . ?
H20A C20 H20B 106.6 . . ?
C16 C21 C20 118.5(9) . . ?
C16 C21 H21A 107.7 . . ?
C20 C21 H21A 107.7 . . ?
C16 C21 H21B 107.7 . . ?
C20 C21 H21B 107.7 . . ?
H21A C21 H21B 107.1 . . ?
C16 C22 H22A 109.5 . . ?
C16 C22 H22B 109.5 . . ?
H22A C22 H22B 109.5 . . ?
C16 C22 H22C 109.5 . . ?
H22A C22 H22C 109.5 . . ?
H22B C22 H22C 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
O4 P1 O1 Si1 163.66(13) . . . . ?
O2 P1 O1 Si1 35.66(16) . . . . ?
O3 P1 O1 Si1 -73.96(15) . . . . ?
O3 Si1 O1 P1 36.91(16) 3_556 . . . ?
C1 Si1 O1 P1 156.82(14) . . . . ?
C7 Si1 O1 P1 -78.78(16) . . . . ?
O4 P1 O2 Si3 -11.74(13) . . . . ?
O1 P1 O2 Si3 113.82(10) . . . . ?
O3 P1 O2 Si3 -137.17(10) . . . . ?
C15 Si3 O2 P1 177.01(11) . . . . ?
C13 Si3 O2 P1 -62.88(14) . . . . ?
C14 Si3 O2 P1 56.40(13) . . . . ?
O4 P1 O3 Si1 -149.10(12) . . . 3_556 ?
O2 P1 O3 Si1 -21.68(14) . . . 3_556 ?
O1 P1 O3 Si1 89.09(13) . . . 3_556 ?
O3 Si1 C1 C2 147.06(13) 3_556 . . . ?
O1 Si1 C1 C2 29.05(16) . . . . ?
C7 Si1 C1 C2 -92.86(15) . . . . ?
O3 Si1 C1 C6 -34.05(17) 3_556 . . . ?
O1 Si1 C1 C6 -152.06(14) . . . . ?
C7 Si1 C1 C6 86.03(16) . . . . ?
C6 C1 C2 C3 0.1(3) . . . . ?
Si1 C1 C2 C3 179.04(14) . . . . ?
C1 C2 C3 C4 0.1(3) . . . . ?
C2 C3 C4 C5 0.2(3) . . . . ?
C3 C4 C5 C6 -0.8(3) . . . . ?
C4 C5 C6 C1 1.1(3) . . . . ?
C2 C1 C6 C5 -0.7(3) . . . . ?
Si1 C1 C6 C5 -179.61(15) . . . . ?
O3 Si1 C7 C8 149.16(13) 3_556 . . . ?
O1 Si1 C7 C8 -93.21(14) . . . . ?
C1 Si1 C7 C8 25.80(17) . . . . ?
O3 Si1 C7 C12 -30.98(15) 3_556 . . . ?
O1 Si1 C7 C12 86.65(15) . . . . ?
C1 Si1 C7 C12 -154.33(13) . . . . ?
C12 C7 C8 C9 -0.6(3) . . . . ?
Si1 C7 C8 C9 179.31(14) . . . . ?
C7 C8 C9 C10 -0.9(3) . . . . ?
C8 C9 C10 C11 1.9(3) . . . . ?
C9 C10 C11 C12 -1.3(3) . . . . ?
C10 C11 C12 C7 -0.2(3) . . . . ?
C8 C7 C12 C11 1.1(2) . . . . ?
Si1 C7 C12 C11 -178.77(13) . . . . ?
C21 C16 C17 C18 4(3) . . . . ?
C22 C16 C17 C18 -178.6(13) . . . . ?
C16 C17 C18 C19 0(2) . . . . ?
C17 C18 C19 C20 -1.9(16) . . . . ?
C18 C19 C20 C21 0.3(15) . . . . ?
C17 C16 C21 C20 -5(3) . . . . ?
C22 C16 C21 C20 177.5(12) . . . . ?
C19 C20 C21 C16 3(2) . . . . ?

_refine_diff_density_max         0.373
_refine_diff_density_min         -0.320
_refine_diff_density_rms         0.048

_shelxl_version_number           2013-2


_exptl_crystal_recrystallization_method 
'Re-crystallisation from solvent: hexane and THF 10:2 v/v'
_chemical_properties_physical    Moisture-sensitive
