#------------------------------------------------------------------------------
#$Date: 2016-02-18 14:25:00 +0200 (Thu, 18 Feb 2016) $
#$Revision: 176728 $
#$URL: svn://www.crystallography.net/cod/cif/8/10/21/8102107.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_8102107
loop_
_publ_author_name
'Domínguez, Z.'
'Jancik, V.'
'Leyva, M. A.'
'Salas-Reyes, M.'
'Guzmán-Márquez, V.'
'Hernández, J.'
'Bagatella-Flores, N.'
'Ramos, R.'
_publ_section_title
;
Crystal structure of 3,5-bis(phtalimidomethyl)benzene-tert-butyldimethylsilyl 
ether, C₃₀H₃₀N₂O₅Si
;
_journal_issue                   2
_journal_name_full
'Zeitschrift für Kristallographie - New Crystal Structures'
_journal_page_first              146
_journal_page_last               148
_journal_volume                  222
_journal_year                    2007
_chemical_formula_moiety         'C30 H30 N2 O5 Si'
_chemical_formula_structural     C30H30N2O5Si
_chemical_formula_sum            'C30 H30 N2 O5 Si'
_chemical_formula_weight         526.65
_chemical_name_systematic
;
3,5-bis(phtalimidomethyl)phenol-tert-butyldimethylsilyl ether
;
_space_group_IT_number           15
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           'SHELXL-CIF-file updated by CIFRTF'
_cell_angle_alpha                90.00
_cell_angle_beta                 113.84(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   23.757(5)
_cell_length_b                   11.097(2)
_cell_length_c                   22.569(5)
_cell_measurement_reflns_used    600
_cell_measurement_temperature    169(2)
_cell_measurement_theta_max      10
_cell_measurement_theta_min      1
_cell_volume                     5442(2)
_computing_cell_refinement       'HKL Scalepack (Otwinowski & Minor 1997)'
_computing_data_collection       'Collect (Nonius BV, 1997-2000)'
_computing_data_reduction        'WinGx (Ferrugia Louis, 2000)'
_computing_molecular_graphics    'Diamond 2.1e(Crystalimpact, 2003)'
_computing_publication_material  'SHELXL-97 (Sheldrick 1997)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick 1997)'
_computing_structure_solution    'SHELXS-97(Sheldrick 1990)'
_diffrn_ambient_temperature      169(2)
_diffrn_detector_area_resol_mean 9
_diffrn_measured_fraction_theta_full 0.989
_diffrn_measured_fraction_theta_max 0.989
_diffrn_measurement_device_type  'Nonius KappaCCD'
_diffrn_measurement_method       omega
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.1352
_diffrn_reflns_av_sigmaI/netI    0.0839
_diffrn_reflns_limit_h_max       24
_diffrn_reflns_limit_h_min       -31
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       29
_diffrn_reflns_limit_l_min       -29
_diffrn_reflns_number            35032
_diffrn_reflns_theta_full        27.87
_diffrn_reflns_theta_max         27.87
_diffrn_reflns_theta_min         3.65
_diffrn_standards_interval_time  0
_exptl_absorpt_coefficient_mu    0.129
_exptl_absorpt_correction_T_max  0.9715
_exptl_absorpt_correction_T_min  0.7899
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'c.f. r.h. blessing, ACA 51 (1995) 33-38'
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.286
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       rectangular
_exptl_crystal_F_000             2224
_exptl_crystal_size_max          0.56
_exptl_crystal_size_mid          0.32
_exptl_crystal_size_min          0.27
_refine_diff_density_max         0.219
_refine_diff_density_min         -0.313
_refine_diff_density_rms         0.040
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.007
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     587
_refine_ls_number_reflns         6423
_refine_ls_number_restraints     984
_refine_ls_restrained_S_all      0.946
_refine_ls_R_factor_all          0.1057
_refine_ls_R_factor_gt           0.0530
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0657P)²+0.9444P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1176
_refine_ls_wR_factor_ref         0.1430
_reflns_number_gt                3882
_reflns_number_total             6423
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            1267-1986.cff
_cod_data_source_block           zjv01
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
according to '/home/saulius/struct/CIF-dictionaries/cif_core.dic'
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_enum 1555 2011-01-17 13:19:09Z saulius 
;
_cod_original_sg_symbol_H-M      C12/c1
_cod_database_code               8102107
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y, -z+1/2'
'x+1/2, y+1/2, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y, z-1/2'
'-x+1/2, -y+1/2, -z'
'x+1/2, -y+1/2, z-1/2'
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_Wyckoff_symbol
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
C7 C 0.10639(7) 0.07457(15) 0.56628(8) 0.0394(4) Uani 1 8 f d D . .
H7A H 0.0686 0.1152 0.5645 0.047 Uiso 0.50 8 f calc PR A 1
H7B H 0.0951 -0.0078 0.5487 0.047 Uiso 0.50 8 f calc PR A 1
H7C H 0.0679 0.1027 0.5659 0.047 Uiso 0.50 8 f d PR A 2
H7D H 0.1002 -0.0043 0.5482 0.047 Uiso 0.50 8 f d PR A 2
N8 N 0.15144(6) 0.06812(11) 0.63332(6) 0.0364(3) Uani 1 8 f d . B .
O9 O 0.11772(5) 0.23072(10) 0.67378(6) 0.0468(3) Uani 1 8 f d . . .
C9 C 0.15317(7) 0.14741(14) 0.68168(8) 0.0372(4) Uani 1 8 f d . . .
C10 C 0.20581(7) 0.10849(14) 0.74144(8) 0.0373(4) Uani 1 8 f d . . .
C11 C 0.22812(8) 0.15563(16) 0.80307(9) 0.0463(4) Uani 1 8 f d . . .
H11A H 0.2089 0.2224 0.8136 0.056 Uiso 1 8 f calc R B .
C12 C 0.28017(8) 0.10106(17) 0.84932(9) 0.0533(5) Uani 1 8 f d . . .
H12A H 0.2967 0.1308 0.8925 0.064 Uiso 1 8 f calc R . .
C13 C 0.30818(8) 0.00426(17) 0.83349(10) 0.0559(5) Uani 1 8 f d . . .
H13A H 0.3438 -0.0307 0.8659 0.067 Uiso 1 8 f calc R B .
C14 C 0.28543(7) -0.04258(16) 0.77150(9) 0.0503(5) Uani 1 8 f d . . .
H14A H 0.3047 -0.1092 0.7608 0.060 Uiso 1 8 f calc R . .
C15 C 0.23378(7) 0.01088(14) 0.72574(8) 0.0390(4) Uani 1 8 f d . . .
O16 O 0.20745(6) -0.09402(11) 0.62258(6) 0.0549(3) Uani 1 8 f d . . .
C16 C 0.19926(7) -0.01620(14) 0.65596(8) 0.0397(4) Uani 1 8 f d . B .
C17A C 0.2042(2) 0.0843(4) 0.4035(2) 0.0357(11) Uani 0.50 8 f d PDU B 1
H17A H 0.2437 0.1220 0.4090 0.043 Uiso 0.50 8 f calc PR B 1
H17B H 0.2124 -0.0012 0.4168 0.043 Uiso 0.50 8 f calc PR B 1
N18A N 0.1620(3) 0.0897(4) 0.3354(2) 0.0283(10) Uani 0.50 8 f d PDU B 1
O19A O 0.2007(2) 0.2621(3) 0.3069(2) 0.0444(9) Uani 0.50 8 f d PDU B 1
C19A C 0.1631(3) 0.1804(5) 0.2928(3) 0.0340(14) Uani 0.50 8 f d PDU B 1
C20A C 0.1110(4) 0.1543(7) 0.2305(4) 0.0311(15) Uani 0.50 8 f d PDU B 1
C21A C 0.0915(5) 0.2131(8) 0.1722(5) 0.045(2) Uani 0.50 8 f d PDU B 1
H21A H 0.1123 0.2825 0.1668 0.054 Uiso 0.50 8 f calc PR B 1
C22A C 0.0401(5) 0.1678(11) 0.1213(5) 0.0471(19) Uani 0.50 8 f d PDU B 1
H22A H 0.0253 0.2075 0.0805 0.057 Uiso 0.50 8 f calc PR B 1
C23A C 0.0102(6) 0.0662(12) 0.1289(5) 0.044(2) Uani 0.50 8 f d PDU B 1
H23A H -0.0243 0.0360 0.0931 0.053 Uiso 0.50 8 f calc PR B 1
C24A C 0.0301(6) 0.0069(12) 0.1885(5) 0.039(2) Uani 0.50 8 f d PDU B 1
H24A H 0.0103 -0.0642 0.1935 0.047 Uiso 0.50 8 f calc PR B 1
C25A C 0.0789(8) 0.0544(14) 0.2393(5) 0.0329(17) Uani 0.50 8 f d PDU B 1
C26A C 0.1128(5) 0.0103(8) 0.3067(4) 0.0341(15) Uani 0.50 8 f d PDU B 1
O26A O 0.1028(4) -0.0748(7) 0.3350(4) 0.0442(14) Uani 0.50 8 f d PDU B 1
C1A C 0.1535(2) 0.3356(4) 0.4834(3) 0.0315(11) Uani 0.50 8 f d PDU B 1
C2A C 0.1778(3) 0.2730(6) 0.4464(3) 0.0315(12) Uani 0.50 8 f d PDU B 1
H2AA H 0.1937 0.3158 0.4202 0.038 Uiso 0.50 8 f calc PR B 1
C3A C 0.1791(5) 0.1475(6) 0.4473(4) 0.0294(14) Uani 0.50 8 f d PDU B 1
C4A C 0.1563(5) 0.0832(7) 0.4857(6) 0.0263(13) Uani 0.50 8 f d PDU B 1
H4AA H 0.1563 -0.0024 0.4849 0.032 Uiso 0.50 8 f calc PR B 1
C5A C 0.1331(10) 0.1440(9) 0.5256(10) 0.031(2) Uani 0.50 8 f d PDU B 1
C6A C 0.1294(3) 0.2704(7) 0.5208(4) 0.0338(15) Uani 0.50 8 f d PDU B 1
H6AA H 0.1099 0.3129 0.5438 0.041 Uiso 0.50 8 f calc PR B 1
O27A O 0.15626(12) 0.46006(19) 0.48867(10) 0.0382(5) Uani 0.50 8 f d PDU B 1
Si1A Si 0.13431(5) 0.56942(9) 0.43402(5) 0.0323(2) Uani 0.50 8 f d PDU B 1
C28A C 0.19477(16) 0.6865(3) 0.46511(19) 0.0497(9) Uani 0.50 8 f d PDU B 1
H28A H 0.2339 0.6537 0.4674 0.075 Uiso 0.50 8 f calc PR B 1
H28B H 0.1993 0.7116 0.5085 0.075 Uiso 0.50 8 f calc PR B 1
H28C H 0.1831 0.7562 0.4359 0.075 Uiso 0.50 8 f calc PR B 1
C29A C 0.12724(16) 0.5178(4) 0.35312(16) 0.0521(9) Uani 0.50 8 f d PDU B 1
H29A H 0.1678 0.4938 0.3555 0.078 Uiso 0.50 8 f calc PR B 1
H29B H 0.1110 0.5834 0.3218 0.078 Uiso 0.50 8 f calc PR B 1
H29C H 0.0992 0.4487 0.3393 0.078 Uiso 0.50 8 f calc PR B 1
C30A C 0.05831(13) 0.6246(3) 0.43127(15) 0.0354(7) Uani 0.50 8 f d PDU B 1
C31A C 0.03851(16) 0.7377(3) 0.3888(2) 0.0527(9) Uani 0.50 8 f d PDU B 1
H31A H -0.0022 0.7634 0.3852 0.079 Uiso 0.50 8 f calc PR B 1
H31B H 0.0368 0.7197 0.3456 0.079 Uiso 0.50 8 f calc PR B 1
H31C H 0.0683 0.8025 0.4085 0.079 Uiso 0.50 8 f calc PR B 1
C32A C 0.00933(19) 0.5268(4) 0.4028(3) 0.0664(13) Uani 0.50 8 f d PDU B 1
H32A H -0.0296 0.5546 0.4035 0.100 Uiso 0.50 8 f calc PR B 1
H32B H 0.0227 0.4532 0.4288 0.100 Uiso 0.50 8 f calc PR B 1
H32C H 0.0035 0.5101 0.3581 0.100 Uiso 0.50 8 f calc PR B 1
C33A C 0.06488(18) 0.6589(4) 0.4991(2) 0.0603(11) Uani 0.50 8 f d PDU B 1
H33A H 0.0253 0.6886 0.4972 0.090 Uiso 0.50 8 f calc PR B 1
H33B H 0.0961 0.7221 0.5164 0.090 Uiso 0.50 8 f calc PR B 1
H33C H 0.0774 0.5880 0.5273 0.090 Uiso 0.50 8 f calc PR B 1
C17B C 0.2092(2) 0.1336(4) 0.4143(3) 0.0393(12) Uani 0.50 8 f d PDU B 2
H17C H 0.2454 0.1842 0.4203 0.047 Uiso 0.50 8 f calc PR B 2
H17D H 0.2239 0.0513 0.4299 0.047 Uiso 0.50 8 f calc PR B 2
N18B N 0.1678(3) 0.1296(4) 0.3460(3) 0.0339(12) Uani 0.50 8 f d PDU B 2
O19B O 0.1938(2) 0.3110(3) 0.3138(3) 0.0552(12) Uani 0.50 8 f d PDU B 2
C19B C 0.1631(4) 0.2210(5) 0.3017(3) 0.0403(15) Uani 0.50 8 f d PDU B 2
C20B C 0.1117(5) 0.1851(7) 0.2399(4) 0.0380(18) Uani 0.50 8 f d PDU B 2
C21B C 0.0851(5) 0.2405(9) 0.1803(5) 0.048(2) Uani 0.50 8 f d PDU B 2
H21B H 0.1014 0.3138 0.1721 0.057 Uiso 0.50 8 f calc PR B 2
C22B C 0.0338(5) 0.1868(10) 0.1323(5) 0.046(2) Uani 0.50 8 f d PDU B 2
H22B H 0.0149 0.2247 0.0912 0.056 Uiso 0.50 8 f calc PR B 2
C23B C 0.0100(6) 0.0799(12) 0.1432(4) 0.043(2) Uani 0.50 8 f d PDU B 2
H23B H -0.0260 0.0468 0.1104 0.052 Uiso 0.50 8 f calc PR B 2
C24B C 0.0390(6) 0.0199(12) 0.2027(5) 0.041(2) Uani 0.50 8 f d PDU B 2
H24B H 0.0239 -0.0552 0.2104 0.049 Uiso 0.50 8 f calc PR B 2
C25B C 0.0896(8) 0.0728(14) 0.2494(5) 0.0354(19) Uani 0.50 8 f d PDU B 2
C26B C 0.1249(4) 0.0387(7) 0.3184(4) 0.0299(14) Uani 0.50 8 f d PDU B 2
O26B O 0.1182(4) -0.0489(7) 0.3460(5) 0.0476(14) Uani 0.50 8 f d PDU B 2
C1B C 0.1297(2) 0.3524(4) 0.4843(3) 0.0333(11) Uani 0.50 8 f d PDU B 2
C2B C 0.1627(3) 0.3071(5) 0.4508(3) 0.0320(12) Uani 0.50 8 f d PDU B 2
H2BA H 0.1765 0.3600 0.4264 0.038 Uiso 0.50 8 f calc PR B 2
C3B C 0.1758(5) 0.1851(6) 0.4527(4) 0.0319(15) Uani 0.50 8 f d PDU B 2
C4B C 0.1564(7) 0.1122(7) 0.4904(7) 0.041(2) Uani 0.50 8 f d PDU B 2
H4BA H 0.1667 0.0290 0.4941 0.049 Uiso 0.50 8 f calc PR B 2
C5B C 0.1228(10) 0.1566(8) 0.5226(9) 0.030(2) Uani 0.50 8 f d PDU B 2
C6B C 0.1114(3) 0.2782(6) 0.5225(4) 0.0288(12) Uani 0.50 8 f d PDU B 2
H6BA H 0.0915 0.3104 0.5480 0.035 Uiso 0.50 8 f calc PR B 2
O27B O 0.11470(13) 0.4725(2) 0.48293(11) 0.0433(6) Uani 0.50 8 f d PDU B 2
Si1B Si 0.10198(6) 0.58257(9) 0.42892(5) 0.0381(3) Uani 0.50 8 f d PDU B 2
C28B C 0.17230(16) 0.6156(4) 0.4153(2) 0.0619(11) Uani 0.50 8 f d PDU B 2
H28D H 0.2084 0.6115 0.4566 0.093 Uiso 0.50 8 f calc PR B 2
H28E H 0.1692 0.6966 0.3969 0.093 Uiso 0.50 8 f calc PR B 2
H28F H 0.1765 0.5563 0.3852 0.093 Uiso 0.50 8 f calc PR B 2
C29B C 0.0848(2) 0.7138(3) 0.4697(2) 0.0639(11) Uani 0.50 8 f d PDU B 2
H29D H 0.1220 0.7371 0.5073 0.096 Uiso 0.50 8 f calc PR B 2
H29E H 0.0523 0.6922 0.4841 0.096 Uiso 0.50 8 f calc PR B 2
H29F H 0.0709 0.7815 0.4393 0.096 Uiso 0.50 8 f calc PR B 2
C30B C 0.03499(14) 0.5446(3) 0.35102(16) 0.0424(8) Uani 0.50 8 f d PDU B 2
C31B C 0.04704(16) 0.4358(3) 0.31665(18) 0.0565(10) Uani 0.50 8 f d PDU B 2
H31D H 0.0116 0.4228 0.2755 0.085 Uiso 0.50 8 f calc PR B 2
H31E H 0.0534 0.3642 0.3441 0.085 Uiso 0.50 8 f calc PR B 2
H31F H 0.0839 0.4503 0.3083 0.085 Uiso 0.50 8 f calc PR B 2
C32B C -0.0216(2) 0.5192(4) 0.3652(3) 0.0647(12) Uani 0.50 8 f d PDU B 2
H32D H -0.0560 0.4953 0.3251 0.097 Uiso 0.50 8 f calc PR B 2
H32E H -0.0327 0.5920 0.3826 0.097 Uiso 0.50 8 f calc PR B 2
H32F H -0.0123 0.4540 0.3970 0.097 Uiso 0.50 8 f calc PR B 2
C33B C 0.02159(19) 0.6556(4) 0.3066(2) 0.0681(12) Uani 0.50 8 f d PDU B 2
H33D H -0.0124 0.6376 0.2651 0.102 Uiso 0.50 8 f calc PR B 2
H33E H 0.0584 0.6763 0.2993 0.102 Uiso 0.50 8 f calc PR B 2
H33F H 0.0103 0.7238 0.3272 0.102 Uiso 0.50 8 f calc PR B 2
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'
N N 0.0061 0.0033 '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
N8 C7 C5B 115.7(9) . . ?
N8 C7 C5A 109.9(9) . . ?
C9 N8 C16 112.00(14) . . ?
C9 N8 C7 124.03(13) . . ?
C16 N8 C7 123.93(14) . . ?
O9 C9 N8 124.62(15) . . ?
O9 C9 C10 129.36(16) . . ?
N8 C9 C10 106.02(13) . . ?
C11 C10 C15 121.71(15) . . ?
C11 C10 C9 130.27(15) . . ?
C15 C10 C9 107.99(15) . . ?
C10 C11 C12 117.04(18) . . ?
C13 C12 C11 121.17(18) . . ?
C14 C13 C12 121.41(16) . . ?
C15 C14 C13 117.54(18) . . ?
C14 C15 C10 121.13(17) . . ?
C14 C15 C16 130.64(16) . . ?
C10 C15 C16 108.22(14) . . ?
O16 C16 N8 124.05(16) . . ?
O16 C16 C15 130.21(15) . . ?
N8 C16 C15 105.74(14) . . ?
N18A C17A C3A 112.7(5) . . ?
C26A N18A C19A 112.3(5) . . ?
C26A N18A C17A 123.6(5) . . ?
C19A N18A C17A 123.9(5) . . ?
O19A C19A N18A 124.8(6) . . ?
O19A C19A C20A 129.4(6) . . ?
N18A C19A C20A 105.8(5) . . ?
C21A C20A C25A 121.2(7) . . ?
C21A C20A C19A 130.4(8) . . ?
C25A C20A C19A 108.3(6) . . ?
C20A C21A C22A 117.7(9) . . ?
C23A C22A C21A 121.1(9) . . ?
C22A C23A C24A 120.9(9) . . ?
C25A C24A C23A 118.0(9) . . ?
C24A C25A C20A 120.8(8) . . ?
C24A C25A C26A 131.1(7) . . ?
C20A C25A C26A 107.6(6) . . ?
O26A C26A N18A 123.4(6) . . ?
O26A C26A C25A 130.7(6) . . ?
N18A C26A C25A 105.9(6) . . ?
C2A C1A O27A 122.5(5) . . ?
C2A C1A C6A 118.6(5) . . ?
O27A C1A C6A 118.8(5) . . ?
C1A C2A C3A 120.5(6) . . ?
C4A C3A C2A 120.6(6) . . ?
C4A C3A C17A 121.6(6) . . ?
C2A C3A C17A 117.8(6) . . ?
C3A C4A C5A 120.4(6) . . ?
C4A C5A C6A 117.3(5) . . ?
C4A C5A C7 120.7(8) . . ?
C6A C5A C7 121.6(7) . . ?
C1A C6A C5A 122.3(5) . . ?
C1A O27A Si1A 132.6(3) . . ?
O27A Si1A C28A 105.62(16) . . ?
O27A Si1A C29A 112.48(16) . . ?
C28A Si1A C29A 109.72(18) . . ?
O27A Si1A C30A 105.77(14) . . ?
C28A Si1A C30A 111.76(16) . . ?
C29A Si1A C30A 111.33(15) . . ?
C33A C30A C32A 110.5(3) . . ?
C33A C30A C31A 107.7(3) . . ?
C32A C30A C31A 109.2(3) . . ?
C33A C30A Si1A 109.9(2) . . ?
C32A C30A Si1A 109.8(3) . . ?
C31A C30A Si1A 109.6(2) . . ?
N18B C17B C3B 109.4(6) . . ?
C26B N18B C19B 112.0(5) . . ?
C26B N18B C17B 123.8(5) . . ?
C19B N18B C17B 124.1(5) . . ?
O19B C19B N18B 125.1(6) . . ?
O19B C19B C20B 128.9(6) . . ?
N18B C19B C20B 105.9(5) . . ?
C21B C20B C25B 119.7(7) . . ?
C21B C20B C19B 132.3(7) . . ?
C25B C20B C19B 108.1(6) . . ?
C20B C21B C22B 118.6(9) . . ?
C23B C22B C21B 121.4(9) . . ?
C22B C23B C24B 120.1(9) . . ?
C25B C24B C23B 118.1(8) . . ?
C24B C25B C20B 121.9(8) . . ?
C24B C25B C26B 130.2(8) . . ?
C20B C25B C26B 107.3(6) . . ?
O26B C26B N18B 125.6(6) . . ?
O26B C26B C25B 127.7(6) . . ?
N18B C26B C25B 106.7(5) . . ?
O27B C1B C6B 116.5(4) . . ?
O27B C1B C2B 122.6(5) . . ?
C6B C1B C2B 120.9(5) . . ?
C1B C2B C3B 120.6(5) . . ?
C4B C3B C2B 117.7(6) . . ?
C4B C3B C17B 121.1(6) . . ?
C2B C3B C17B 121.2(6) . . ?
C5B C4B C3B 121.8(7) . . ?
C4B C5B C6B 120.5(6) . . ?
C4B C5B C7 119.4(7) . . ?
C6B C5B C7 119.4(7) . . ?
C5B C6B C1B 118.3(5) . . ?
C1B O27B Si1B 134.0(3) . . ?
O27B Si1B C28B 110.95(18) . . ?
O27B Si1B C29B 102.93(17) . . ?
C28B Si1B C29B 108.7(2) . . ?
O27B Si1B C30B 110.78(15) . . ?
C28B Si1B C30B 111.60(19) . . ?
C29B Si1B C30B 111.50(18) . . ?
C31B C30B C32B 108.8(3) . . ?
C31B C30B C33B 109.6(3) . . ?
C32B C30B C33B 108.5(3) . . ?
C31B C30B Si1B 113.0(2) . . ?
C32B C30B Si1B 109.2(3) . . ?
C33B C30B Si1B 107.7(2) . . ?
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
C7 N8 1.460(2) . ?
C7 C5B 1.504(5) . ?
C7 C5A 1.520(5) . ?
N8 C9 1.389(2) . ?
N8 C16 1.399(2) . ?
O9 C9 1.2143(18) . ?
C9 C10 1.485(2) . ?
C10 C11 1.376(2) . ?
C10 C15 1.390(2) . ?
C11 C12 1.393(3) . ?
C12 C13 1.384(3) . ?
C13 C14 1.381(3) . ?
C14 C15 1.378(2) . ?
C15 C16 1.483(2) . ?
O16 C16 1.212(2) . ?
C17A N18A 1.458(6) . ?
C17A C3A 1.516(6) . ?
N18A C26A 1.396(6) . ?
N18A C19A 1.399(7) . ?
O19A C19A 1.222(6) . ?
C19A C20A 1.478(7) . ?
C20A C21A 1.372(9) . ?
C20A C25A 1.405(8) . ?
C21A C22A 1.388(9) . ?
C22A C23A 1.380(9) . ?
C23A C24A 1.396(9) . ?
C24A C25A 1.364(8) . ?
C25A C26A 1.486(8) . ?
C26A O26A 1.216(8) . ?
C1A C2A 1.380(6) . ?
C1A O27A 1.385(5) . ?
C1A C6A 1.398(7) . ?
C2A C3A 1.393(6) . ?
C3A C4A 1.391(8) . ?
C4A C5A 1.404(9) . ?
C5A C6A 1.406(8) . ?
O27A Si1A 1.657(2) . ?
Si1A C28A 1.852(4) . ?
Si1A C29A 1.855(3) . ?
Si1A C30A 1.884(3) . ?
C30A C33A 1.523(5) . ?
C30A C32A 1.530(5) . ?
C30A C31A 1.533(4) . ?
C17B N18B 1.457(7) . ?
C17B C3B 1.504(7) . ?
N18B C26B 1.389(5) . ?
N18B C19B 1.396(7) . ?
O19B C19B 1.201(7) . ?
C19B C20B 1.490(8) . ?
C20B C21B 1.377(8) . ?
C20B C25B 1.402(9) . ?
C21B C22B 1.397(9) . ?
C22B C23B 1.378(9) . ?
C23B C24B 1.406(9) . ?
C24B C25B 1.370(8) . ?
C25B C26B 1.487(8) . ?
C26B O26B 1.201(8) . ?
C1B O27B 1.376(5) . ?
C1B C6B 1.384(7) . ?
C1B C2B 1.384(6) . ?
C2B C3B 1.385(6) . ?
C3B C4B 1.381(9) . ?
C4B C5B 1.370(9) . ?
C5B C6B 1.376(8) . ?
O27B Si1B 1.664(2) . ?
Si1B C28B 1.853(4) . ?
Si1B C29B 1.855(4) . ?
Si1B C30B 1.881(3) . ?
C30B C31B 1.524(5) . ?
C30B C32B 1.528(5) . ?
C30B C33B 1.538(5) . ?
