#------------------------------------------------------------------------------
#$Date: 2016-03-26 17:06:22 +0200 (Sat, 26 Mar 2016) $
#$Revision: 180374 $
#$URL: svn://www.crystallography.net/cod/cif/7/20/43/7204360.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_7204360
loop_
_publ_author_name
'Bell, Paul C.'
'Skranc, Wolfgang'
'Formosa, Xavier'
'O'Leary, Jane'
'Wallis, John D.'
_publ_section_title
;
 Interactions between alkynes and methoxy or dimethylamino groups in
 peri-naphthalene systems
;
_journal_issue                   5
_journal_name_full
'Journal of the Chemical Society, Perkin Transactions 2'
_journal_page_first              878
_journal_paper_doi               10.1039/b201038k
_journal_year                    2002
_chemical_formula_sum            'C31 H24 O Si'
_chemical_formula_weight         440.59
_chemical_melting_point          371(2)
_chemical_name_systematic
; 
8-methoxy-1-triphenylsilylethenylnaphthalene  
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   mixed
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                93.97
_cell_angle_beta                 98.58
_cell_angle_gamma                106.71
_cell_formula_units_Z            4
_cell_length_a                   11.410
_cell_length_b                   13.761
_cell_length_c                   16.352
_cell_measurement_reflns_used    14825
_cell_measurement_temperature    120(2)
_cell_measurement_theta_max      25.03
_cell_measurement_theta_min      2.91
_cell_volume                     2414.434
_computing_cell_refinement
'DENZO (Otwinowski and Minor, 1997) and COLLECT (Hooft, 1998)'
_computing_data_collection
'DENZO (Otwinowski and Minor, 1997) and COLLECT (Hooft, 1998)'
_computing_data_reduction
'DENZO (Otwinowski and Minor, 1997) and COLLECT (Hooft, 1998)'
_computing_molecular_graphics    'ORTEPIII (Johnson and Burnett, 1996)'
_computing_publication_material  'SHELXL-97 (Sheldrick, 1998)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      120(2)
_diffrn_measured_fraction_theta_full 0.973
_diffrn_measured_fraction_theta_max 0.973
_diffrn_measurement_device_type  'Enraf Nonius KappCCD area detector'
_diffrn_measurement_method       'Phi and Omega scans to fill Ewald sphere'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'Enraf Nonius FR591 rotating anode'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0898
_diffrn_reflns_av_sigmaI/netI    0.1158
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_number            24409
_diffrn_reflns_theta_full        25.07
_diffrn_reflns_theta_max         25.07
_diffrn_reflns_theta_min         3.11
_exptl_absorpt_coefficient_mu    0.118
_exptl_absorpt_correction_T_max  0.98327
_exptl_absorpt_correction_T_min  0.96314
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;    
using multiple and symmetry-related data measurements via the program 
SORTAV (Blessing, 1995)
See R.H. Blessing, Acta Cryst., (1995), A51, 33-38 
;
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.212
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             928
_exptl_crystal_size_max          0.15
_exptl_crystal_size_mid          0.1
_exptl_crystal_size_min          0.1
_refine_diff_density_max         0.350
_refine_diff_density_min         -0.300
_refine_diff_density_rms         0.065
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.925
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     805
_refine_ls_number_reflns         8349
_refine_ls_number_restraints     36
_refine_ls_restrained_S_all      0.928
_refine_ls_R_factor_all          0.1280
_refine_ls_R_factor_gt           0.0567
_refine_ls_shift/su_max          0.009
_refine_ls_shift/su_mean         0.001
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0556P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1115
_refine_ls_wR_factor_ref         0.1302
_reflns_number_gt                4778
_reflns_number_total             8349
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b201038k.txt
_cod_data_source_block           Meotriphsilyl-15
_cod_depositor_comments
;
The following automatic conversions were performed:

'_chemical_melting_point' value '369-373' was changed to '371(2)' -
the average value was taken and precision was estimated.

Automatic conversion script
Id: cif_fix_values 1569 2011-02-09 13:29:24Z adriana 
;
_cod_original_cell_volume        2414.2
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               7204360
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -z'
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 0.08187(7) 0.68647(6) 0.23121(5) 0.0310(2) Uani 1 1 d . . .
O1A O 0.27489(18) 0.93843(16) 0.07709(14) 0.0432(6) Uani 1 1 d . . .
C1A C 0.2325(3) 0.9679(2) 0.0030(2) 0.0368(8) Uani 1 1 d . . .
C2A C 0.3051(4) 1.0399(3) -0.0376(3) 0.0488(10) Uani 1 1 d . . .
C3A C 0.2548(4) 1.0686(3) -0.1118(3) 0.0568(11) Uani 1 1 d . . .
C4A C 0.1328(4) 1.0272(3) -0.1443(2) 0.0481(9) Uani 1 1 d . . .
C5A C -0.0742(3) 0.9134(2) -0.13692(19) 0.0359(7) Uani 1 1 d . . .
C6A C -0.1513(3) 0.8433(2) -0.09895(18) 0.0349(7) Uani 1 1 d . . .
C7A C -0.1023(3) 0.8096(2) -0.02681(18) 0.0304(7) Uani 1 1 d . . .
C8A C 0.0221(3) 0.8448(2) 0.00776(16) 0.0274(7) Uani 1 1 d . . .
C9A C 0.1047(3) 0.9209(2) -0.02987(18) 0.0319(7) Uani 1 1 d . . .
C10A C 0.0537(3) 0.9531(2) -0.10464(18) 0.0360(8) Uani 1 1 d . . .
C11A C 0.0586(3) 0.7993(2) 0.08025(18) 0.0308(7) Uani 1 1 d . . .
C12A C 0.0707(3) 0.7507(2) 0.13852(19) 0.0326(7) Uani 1 1 d . . .
C13A C 0.0064(3) 0.5460(2) 0.20457(19) 0.0358(7) Uani 1 1 d . . .
C14A C -0.0082(3) 0.4962(3) 0.1249(2) 0.0416(8) Uani 1 1 d . . .
C15A C -0.0615(3) 0.3911(3) 0.1072(3) 0.0549(10) Uani 1 1 d . . .
C16A C -0.0996(4) 0.3332(3) 0.1678(3) 0.0570(10) Uani 1 1 d . . .
C17A C -0.0874(4) 0.3797(3) 0.2467(3) 0.0648(11) Uani 1 1 d . . .
C18A C -0.0368(4) 0.4847(3) 0.2650(3) 0.0543(10) Uani 1 1 d . . .
C19A C 0.2481(3) 0.7141(2) 0.28008(17) 0.0328(7) Uani 1 1 d . . .
C20A C 0.2995(3) 0.6401(3) 0.30905(19) 0.0428(8) Uani 1 1 d . . .
C21A C 0.4223(3) 0.6648(4) 0.3488(2) 0.0576(11) Uani 1 1 d . . .
C22A C 0.4952(4) 0.7658(4) 0.3603(2) 0.0580(12) Uani 1 1 d . . .
C23A C 0.4482(3) 0.8412(4) 0.3325(2) 0.0544(10) Uani 1 1 d . . .
C24A C 0.3256(3) 0.8152(3) 0.2930(2) 0.0443(8) Uani 1 1 d . . .
C25A C 0.0033(3) 0.7413(2) 0.30652(17) 0.0302(7) Uani 1 1 d . . .
C26A C -0.0981(3) 0.7754(2) 0.2795(2) 0.0344(7) Uani 1 1 d . . .
C27A C -0.1569(3) 0.8166(2) 0.3347(2) 0.0394(8) Uani 1 1 d . . .
C28A C -0.1156(3) 0.8243(2) 0.4190(2) 0.0421(8) Uani 1 1 d . . .
C29A C -0.0152(3) 0.7912(3) 0.4481(2) 0.0412(8) Uani 1 1 d . . .
C30A C 0.0434(3) 0.7508(2) 0.39211(19) 0.0351(7) Uani 1 1 d . . .
C31A C 0.3979(3) 0.9925(3) 0.1194(3) 0.0552(10) Uani 1 1 d . . .
Si2 Si 0.50811(8) 0.25034(6) 0.31477(5) 0.0341(2) Uani 1 1 d . . .
O1B O 0.35935(19) 0.39077(15) 0.10725(13) 0.0439(6) Uani 1 1 d . . .
C1B C 0.3664(3) 0.3940(2) 0.02549(19) 0.0350(7) Uani 1 1 d . . .
C2B C 0.2998(3) 0.4398(2) -0.0278(2) 0.0430(8) Uani 1 1 d . . .
C3B C 0.3132(3) 0.4387(3) -0.1116(2) 0.0487(9) Uani 1 1 d . . .
C4B C 0.3921(3) 0.3937(3) -0.1417(2) 0.0436(8) Uani 1 1 d . . .
C5B C 0.5468(3) 0.3024(2) -0.1189(2) 0.0357(7) Uani 1 1 d . . .
C6B C 0.6186(3) 0.2593(2) -0.06857(19) 0.0368(8) Uani 1 1 d . . .
C7B C 0.6048(3) 0.2539(2) 0.01548(18) 0.0312(7) Uani 1 1 d . . .
C8B C 0.5221(2) 0.2948(2) 0.04807(16) 0.0278(7) Uani 1 1 d . A .
C9B C 0.4489(2) 0.3449(2) -0.00381(17) 0.0284(7) Uani 1 1 d . . .
C10B C 0.4625(3) 0.3466(2) -0.08840(17) 0.0327(7) Uani 1 1 d . . .
C11B C 0.5122(3) 0.2814(2) 0.13406(18) 0.0293(7) Uani 1 1 d . . .
C12B C 0.5115(3) 0.2630(2) 0.20513(19) 0.0339(7) Uani 1 1 d . A .
C13B C 0.5996(3) 0.1643(2) 0.35046(18) 0.0347(7) Uani 1 1 d . A .
C14B C 0.6697(3) 0.1262(2) 0.3005(2) 0.0390(8) Uani 1 1 d . . .
C15B C 0.7428(3) 0.0675(3) 0.3312(2) 0.0464(9) Uani 1 1 d . A .
C16B C 0.7484(3) 0.0456(3) 0.4118(2) 0.0515(9) Uani 1 1 d . . .
C17B C 0.6787(3) 0.0803(3) 0.4629(2) 0.0517(10) Uani 1 1 d . A .
C18B C 0.6057(3) 0.1386(3) 0.43248(19) 0.0430(8) Uani 1 1 d . . .
C19B C 0.3448(3) 0.1959(2) 0.33385(16) 0.0311(7) Uani 1 1 d D A .
C20B C 0.2983(3) 0.0937(2) 0.34638(17) 0.0337(7) Uani 1 1 d D . .
C21B C 0.1777(3) 0.0523(3) 0.35942(19) 0.0391(8) Uani 1 1 d D A .
C22B C 0.1011(3) 0.1126(3) 0.36003(19) 0.0466(9) Uani 1 1 d D . .
C23B C 0.1429(3) 0.2136(3) 0.3467(2) 0.0501(10) Uani 1 1 d D A .
C24B C 0.2643(3) 0.2548(3) 0.33402(19) 0.0441(9) Uani 1 1 d D . .
C25B C 0.6055(9) 0.3773(11) 0.3753(6) 0.0251(18) Uani 0.473(4) 1 d PD A 1
C26B C 0.6591(10) 0.4565(11) 0.3381(8) 0.031(2) Uani 0.473(4) 1 d PD A 1
C27B C 0.691(3) 0.5580(14) 0.3770(9) 0.051(3) Uani 0.473(4) 1 d PD A 1
C28B C 0.7388(8) 0.5704(8) 0.4581(7) 0.0398(19) Uani 0.473(4) 1 d PD A 1
C29B C 0.7277(7) 0.4857(5) 0.4994(4) 0.0457(12) Uani 0.473(4) 1 d PD A 1
H29B H 0.7663 0.4927 0.5560 0.069 Uiso 0.473(4) 1 calc PR A 1
C30B C 0.6603(6) 0.3902(5) 0.4586(4) 0.0386(11) Uani 0.473(4) 1 d PD A 1
H30B H 0.6512 0.3322 0.4882 0.058 Uiso 0.473(4) 1 calc PR A 1
C25X C 0.5640(7) 0.3834(10) 0.3689(6) 0.0251(18) Uani 0.53 1 d PD A 2
C26X C 0.6172(8) 0.4659(10) 0.3360(7) 0.031(2) Uani 0.53 1 d PD A 2
H26X H 0.5954 0.4664 0.2777 0.046 Uiso 0.527(4) 1 calc PR A 2
C27X C 0.705(3) 0.5543(13) 0.3830(8) 0.051(3) Uani 0.53 1 d PD A 2
H27X H 0.7754 0.5938 0.3623 0.076 Uiso 0.527(4) 1 calc PR A 2
C28X C 0.6826(7) 0.5778(7) 0.4584(6) 0.0398(19) Uani 0.53 1 d PD A 2
H28X H 0.7289 0.6409 0.4908 0.060 Uiso 0.527(4) 1 calc PR A 2
C29X C 0.5903(6) 0.5082(4) 0.4882(3) 0.0457(12) Uani 0.53 1 d PD A 2
H29X H 0.5668 0.5260 0.5392 0.069 Uiso 0.527(4) 1 calc PR A 2
C30X C 0.5319(6) 0.4127(4) 0.4443(3) 0.0386(11) Uani 0.53 1 d PD A 2
H30X H 0.4685 0.3657 0.4657 0.058 Uiso 0.527(4) 1 calc PR A 2
C31B C 0.2731(5) 0.4340(3) 0.1396(3) 0.0612(12) Uani 1 1 d . . .
O1Z O 0.8896(13) 0.3722(11) 0.4457(8) 0.050 Uiso 0.159(4) 1 d P . .
H1Z H 0.8168 0.3645 0.4211 0.075 Uiso 0.159(4) 1 calc PR . .
C1Z C 0.924(2) 0.4500(16) 0.4961(13) 0.050 Uiso 0.159(4) 1 d P . .
H2Z H 0.8588 0.4832 0.4932 0.075 Uiso 0.159(4) 1 calc PR . .
H3Z H 0.9997 0.4971 0.4826 0.075 Uiso 0.159(4) 1 calc PR . .
H4Z H 0.9427 0.4318 0.5524 0.075 Uiso 0.159(4) 1 calc PR . .
H2A H 0.388(3) 1.068(2) -0.0126(18) 0.041(9) Uiso 1 1 d . . .
H3A H 0.304(3) 1.113(3) -0.142(2) 0.072(12) Uiso 1 1 d . . .
H4A H 0.096(3) 1.054(3) -0.194(2) 0.063(11) Uiso 1 1 d . . .
H5A H -0.109(3) 0.939(2) -0.1917(19) 0.049(9) Uiso 1 1 d . . .
H6A H -0.244(3) 0.816(2) -0.1238(18) 0.042(8) Uiso 1 1 d . . .
H7A H -0.157(3) 0.761(2) 0.0006(16) 0.032(8) Uiso 1 1 d . . .
H14A H 0.019(3) 0.535(2) 0.080(2) 0.052(10) Uiso 1 1 d . . .
H15A H -0.071(3) 0.363(2) 0.050(2) 0.040(9) Uiso 1 1 d . . .
H16A H -0.138(4) 0.259(3) 0.154(2) 0.080(12) Uiso 1 1 d . . .
H17A H -0.124(3) 0.340(3) 0.288(2) 0.058(11) Uiso 1 1 d . . .
H18A H -0.033(3) 0.516(3) 0.318(2) 0.058(11) Uiso 1 1 d . . .
H21A H 0.455(3) 0.611(3) 0.367(2) 0.072(12) Uiso 1 1 d . . .
H20A H 0.248(3) 0.574(2) 0.2996(18) 0.037(9) Uiso 1 1 d . . .
H22A H 0.578(4) 0.782(3) 0.387(2) 0.081(13) Uiso 1 1 d . . .
H23A H 0.501(3) 0.909(3) 0.338(2) 0.064(12) Uiso 1 1 d . . .
H24A H 0.293(3) 0.871(3) 0.274(2) 0.059(10) Uiso 1 1 d . . .
H26A H -0.128(2) 0.7739(18) 0.2211(16) 0.017(7) Uiso 1 1 d . . .
H27A H -0.227(3) 0.838(2) 0.3120(19) 0.051(9) Uiso 1 1 d . . .
H28A H -0.154(3) 0.854(2) 0.460(2) 0.056(10) Uiso 1 1 d . . .
H29A H 0.021(3) 0.800(2) 0.506(2) 0.042(9) Uiso 1 1 d . . .
H30A H 0.105(3) 0.726(2) 0.4110(17) 0.030(8) Uiso 1 1 d . . .
H31A H 0.411(3) 0.965(3) 0.174(2) 0.065(12) Uiso 1 1 d . . .
H31B H 0.409(3) 1.070(3) 0.1301(19) 0.057(10) Uiso 1 1 d . . .
H31C H 0.458(3) 0.990(2) 0.0836(18) 0.043(9) Uiso 1 1 d . . .
H2B H 0.249(3) 0.476(2) -0.0049(17) 0.039(8) Uiso 1 1 d . . .
H3B H 0.268(3) 0.473(2) -0.1460(18) 0.039(8) Uiso 1 1 d . . .
H4B H 0.400(3) 0.391(3) -0.202(2) 0.063(11) Uiso 1 1 d . . .
H5B H 0.549(3) 0.304(2) -0.1783(19) 0.042(8) Uiso 1 1 d . . .
H6B H 0.677(3) 0.231(2) -0.0881(16) 0.031(8) Uiso 1 1 d . . .
H7B H 0.659(3) 0.222(2) 0.0555(19) 0.054(9) Uiso 1 1 d . . .
H14B H 0.668(3) 0.148(2) 0.2416(19) 0.046(9) Uiso 1 1 d . . .
H15B H 0.783(3) 0.040(3) 0.295(2) 0.064(11) Uiso 1 1 d . . .
H16B H 0.802(3) 0.004(3) 0.434(2) 0.059(10) Uiso 1 1 d . . .
H17B H 0.684(3) 0.065(2) 0.522(2) 0.058(10) Uiso 1 1 d . . .
H18B H 0.550(3) 0.166(2) 0.4672(18) 0.044(8) Uiso 1 1 d . . .
H20B H 0.357(3) 0.055(2) 0.3460(17) 0.042(9) Uiso 1 1 d . . .
H21B H 0.148(3) -0.017(3) 0.3658(19) 0.048(10) Uiso 1 1 d . . .
H22B H 0.016(3) 0.084(2) 0.3692(18) 0.046(9) Uiso 1 1 d . . .
H23B H 0.098(3) 0.260(3) 0.348(2) 0.061(11) Uiso 1 1 d . . .
H24B H 0.298(2) 0.325(2) 0.3281(15) 0.020(7) Uiso 1 1 d . . .
H26B H 0.678(8) 0.430(6) 0.284(5) 0.25(4) Uiso 1 1 d . . .
H27B H 0.694(5) 0.617(4) 0.344(3) 0.139(19) Uiso 1 1 d . . .
H28B H 0.776(5) 0.633(4) 0.482(3) 0.14(2) Uiso 1 1 d . . .
H31X H 0.298(3) 0.510(3) 0.133(2) 0.074(11) Uiso 1 1 d . . .
H31Y H 0.289(3) 0.426(3) 0.203(2) 0.068(12) Uiso 1 1 d . . .
H31Z H 0.183(5) 0.404(4) 0.102(3) 0.13(2) Uiso 1 1 d . . .
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'
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
C12A Si1 C19A 109.91(13) . . ?
C12A Si1 C25A 107.29(13) . . ?
C19A Si1 C25A 107.75(13) . . ?
C12A Si1 C13A 110.21(14) . . ?
C19A Si1 C13A 110.60(13) . . ?
C25A Si1 C13A 110.99(13) . . ?
C1A O1A C31A 118.3(3) . . ?
O1A C1A C2A 123.9(3) . . ?
O1A C1A C9A 115.4(3) . . ?
C2A C1A C9A 120.6(3) . . ?
C1A C2A C3A 120.9(4) . . ?
C4A C3A C2A 120.4(4) . . ?
C3A C4A C10A 121.0(4) . . ?
C6A C5A C10A 121.3(3) . . ?
C5A C6A C7A 119.3(3) . . ?
C8A C7A C6A 122.4(3) . . ?
C7A C8A C9A 119.4(3) . . ?
C7A C8A C11A 115.5(2) . . ?
C9A C8A C11A 125.1(3) . . ?
C1A C9A C10A 117.9(3) . . ?
C1A C9A C8A 124.6(3) . . ?
C10A C9A C8A 117.5(3) . . ?
C5A C10A C4A 120.7(3) . . ?
C5A C10A C9A 120.0(3) . . ?
C4A C10A C9A 119.2(3) . . ?
C12A C11A C8A 169.8(3) . . ?
C11A C12A Si1 174.1(3) . . ?
C14A C13A C18A 116.4(3) . . ?
C14A C13A Si1 122.6(3) . . ?
C18A C13A Si1 121.0(2) . . ?
C15A C14A C13A 121.5(4) . . ?
C16A C15A C14A 120.7(4) . . ?
C15A C16A C17A 119.3(4) . . ?
C16A C17A C18A 120.7(4) . . ?
C17A C18A C13A 121.3(4) . . ?
C20A C19A C24A 117.1(3) . . ?
C20A C19A Si1 123.6(3) . . ?
C24A C19A Si1 119.2(2) . . ?
C21A C20A C19A 121.8(4) . . ?
C22A C21A C20A 119.1(4) . . ?
C23A C22A C21A 121.0(4) . . ?
C22A C23A C24A 119.1(4) . . ?
C23A C24A C19A 121.9(4) . . ?
C30A C25A C26A 116.8(3) . . ?
C30A C25A Si1 121.7(2) . . ?
C26A C25A Si1 121.4(2) . . ?
C27A C26A C25A 122.0(3) . . ?
C28A C27A C26A 119.8(3) . . ?
C27A C28A C29A 119.7(3) . . ?
C28A C29A C30A 119.8(3) . . ?
C29A C30A C25A 121.8(3) . . ?
C12B Si2 C13B 109.53(13) . . ?
C12B Si2 C25X 105.6(3) . . ?
C13B Si2 C25X 115.9(3) . . ?
C12B Si2 C19B 111.56(13) . . ?
C13B Si2 C19B 108.64(13) . . ?
C25X Si2 C19B 105.6(3) . . ?
C12B Si2 C25B 107.0(4) . . ?
C13B Si2 C25B 101.7(3) . . ?
C25X Si2 C25B 15.3(4) . . ?
C19B Si2 C25B 117.8(3) . . ?
C1B O1B C31B 118.0(3) . . ?
O1B C1B C2B 124.3(3) . . ?
O1B C1B C9B 115.2(3) . . ?
C2B C1B C9B 120.5(3) . . ?
C1B C2B C3B 120.0(3) . . ?
C4B C3B C2B 121.3(3) . . ?
C3B C4B C10B 120.1(3) . . ?
C6B C5B C10B 121.6(3) . . ?
C5B C6B C7B 119.6(3) . . ?
C8B C7B C6B 120.9(3) . . ?
C7B C8B C9B 120.1(2) . . ?
C7B C8B C11B 116.1(2) . . ?
C9B C8B C11B 123.8(2) . . ?
C10B C9B C1B 118.4(3) . . ?
C10B C9B C8B 117.6(2) . . ?
C1B C9B C8B 124.0(3) . . ?
C5B C10B C4B 120.2(3) . . ?
C5B C10B C9B 120.1(3) . . ?
C4B C10B C9B 119.7(3) . . ?
C12B C11B C8B 173.0(3) . . ?
C11B C12B Si2 173.1(3) . . ?
C14B C13B C18B 116.8(3) . . ?
C14B C13B Si2 123.1(2) . . ?
C18B C13B Si2 120.1(2) . . ?
C15B C14B C13B 121.2(3) . . ?
C16B C15B C14B 120.5(3) . . ?
C15B C16B C17B 120.1(3) . . ?
C18B C17B C16B 119.5(3) . . ?
C17B C18B C13B 121.9(3) . . ?
C24B C19B C20B 117.1(3) . . ?
C24B C19B Si2 121.6(2) . . ?
C20B C19B Si2 121.3(2) . . ?
C21B C20B C19B 121.9(3) . . ?
C22B C21B C20B 119.6(3) . . ?
C21B C22B C23B 120.4(3) . . ?
C22B C23B C24B 119.7(3) . . ?
C19B C24B C23B 121.4(3) . . ?
C26B C25B C30B 110.5(10) . . ?
C26B C25B Si2 122.2(9) . . ?
C30B C25B Si2 124.5(9) . . ?
C25B C26B C27B 121.8(12) . . ?
C28B C27B C26B 114.5(18) . . ?
C27B C28B C29B 118.9(11) . . ?
C28B C29B C30B 120.0(7) . . ?
C29B C30B C25B 121.3(8) . . ?
C26X C25X C30X 109.0(9) . . ?
C26X C25X Si2 125.7(8) . . ?
C30X C25X Si2 124.0(8) . . ?
C25X C26X C27X 123.6(11) . . ?
C28X C27X C26X 114.9(17) . . ?
C27X C28X C29X 118.4(10) . . ?
C28X C29X C30X 120.3(6) . . ?
C29X C30X C25X 121.6(7) . . ?
O1Z C1Z C1Z 124(2) . 2_766 ?
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 C12A 1.813(3) . ?
Si1 C19A 1.863(3) . ?
Si1 C25A 1.866(3) . ?
Si1 C13A 1.866(3) . ?
O1A C1A 1.368(4) . ?
O1A C31A 1.429(4) . ?
C1A C2A 1.375(4) . ?
C1A C9A 1.417(4) . ?
C2A C3A 1.395(5) . ?
C3A C4A 1.351(5) . ?
C4A C10A 1.419(4) . ?
C5A C6A 1.359(4) . ?
C5A C10A 1.406(4) . ?
C6A C7A 1.395(4) . ?
C7A C8A 1.377(4) . ?
C8A C9A 1.435(4) . ?
C8A C11A 1.440(4) . ?
C9A C10A 1.429(4) . ?
C11A C12A 1.216(4) . ?
C13A C14A 1.392(4) . ?
C13A C18A 1.398(4) . ?
C14A C15A 1.388(5) . ?
C15A C16A 1.358(5) . ?
C16A C17A 1.370(5) . ?
C17A C18A 1.385(5) . ?
C19A C20A 1.390(4) . ?
C19A C24A 1.400(4) . ?
C20A C21A 1.387(5) . ?
C21A C22A 1.382(6) . ?
C22A C23A 1.373(6) . ?
C23A C24A 1.383(5) . ?
C25A C30A 1.391(4) . ?
C25A C26A 1.393(4) . ?
C26A C27A 1.384(4) . ?
C27A C28A 1.376(4) . ?
C28A C29A 1.383(5) . ?
C29A C30A 1.385(4) . ?
Si2 C12B 1.818(3) . ?
Si2 C13B 1.859(3) . ?
Si2 C25X 1.865(12) . ?
Si2 C19B 1.879(3) . ?
Si2 C25B 1.893(13) . ?
O1B C1B 1.354(3) . ?
O1B C31B 1.432(4) . ?
C1B C2B 1.374(4) . ?
C1B C9B 1.424(4) . ?
C2B C3B 1.400(5) . ?
C3B C4B 1.360(5) . ?
C4B C10B 1.412(4) . ?
C5B C6B 1.358(4) . ?
C5B C10B 1.407(4) . ?
C6B C7B 1.411(4) . ?
C7B C8B 1.380(4) . ?
C8B C9B 1.446(4) . ?
C8B C11B 1.447(4) . ?
C9B C10B 1.416(4) . ?
C11B C12B 1.207(4) . ?
C13B C14B 1.400(4) . ?
C13B C18B 1.407(4) . ?
C14B C15B 1.386(5) . ?
C15B C16B 1.368(5) . ?
C16B C17B 1.385(5) . ?
C17B C18B 1.379(5) . ?
C19B C24B 1.389(4) . ?
C19B C20B 1.395(4) . ?
C20B C21B 1.385(4) . ?
C21B C22B 1.367(5) . ?
C22B C23B 1.377(5) . ?
C23B C24B 1.391(5) . ?
C25B C26B 1.323(10) . ?
C25B C30B 1.387(10) . ?
C26B C27B 1.416(14) . ?
C27B C28B 1.335(16) . ?
C28B C29B 1.371(10) . ?
C29B C30B 1.381(8) . ?
C25X C26X 1.316(9) . ?
C25X C30X 1.402(9) . ?
C26X C27X 1.422(13) . ?
C27X C28X 1.335(15) . ?
C28X C29X 1.379(9) . ?
C29X C30X 1.382(7) . ?
O1Z C1Z 1.23(2) . ?
C1Z C1Z 1.85(4) 2_766 ?
