#------------------------------------------------------------------------------
#$Date: 2018-01-16 11:23:24 +0200 (Tue, 16 Jan 2018) $
#$Revision: 205248 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/54/86/1548692.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_1548692
loop_
_publ_author_name
'Rajesh Kumar Patti'
'Shaofeng Duan'
'Zhipeng Wang'
'James W. Herndon'
_publ_section_title
;
 Preparation of phenalenes and hydronaphthacenes through tandem alkyne
 Fischer-carbene complex coupling and inter- or intramolecular Diels-Alder
 reactions
;
_journal_name_full               'Tetrahedron Letters'
_journal_page_first              4182
_journal_page_last               4185
_journal_paper_doi               10.1016/j.tetlet.2011.06.006
_journal_volume                  52
_journal_year                    2011
_chemical_formula_sum            'C28 H38 O3 Si2'
_chemical_formula_weight         478.76
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_cell_angle_alpha                90.00
_cell_angle_beta                 99.730(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   22.3365(7)
_cell_length_b                   13.2652(4)
_cell_length_c                   18.3540(5)
_cell_measurement_reflns_used    9844
_cell_measurement_temperature    150(2)
_cell_measurement_theta_max      28.29
_cell_measurement_theta_min      2.29
_cell_volume                     5360.0(3)
_computing_cell_refinement       'Bruker SAINT'
_computing_data_collection       'Bruker APEX2'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      150(2)
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 1.000
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_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  0.0329
_diffrn_reflns_av_sigmaI/netI    0.0203
_diffrn_reflns_limit_h_max       27
_diffrn_reflns_limit_h_min       -27
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       22
_diffrn_reflns_limit_l_min       -22
_diffrn_reflns_number            86274
_diffrn_reflns_theta_full        26.37
_diffrn_reflns_theta_max         26.37
_diffrn_reflns_theta_min         1.79
_exptl_absorpt_coefficient_mu    0.159
_exptl_absorpt_correction_T_max  0.9784
_exptl_absorpt_correction_T_min  0.9111
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   Bruker,SADABS
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.187
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             2064
_exptl_crystal_size_max          0.60
_exptl_crystal_size_mid          0.30
_exptl_crystal_size_min          0.14
_refine_diff_density_max         1.263
_refine_diff_density_min         -1.005
_refine_diff_density_rms         0.087
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.100
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     609
_refine_ls_number_reflns         10967
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.100
_refine_ls_R_factor_all          0.1166
_refine_ls_R_factor_gt           0.1024
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0996P)²+17.6291P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2624
_refine_ls_wR_factor_ref         0.2720
_reflns_number_gt                9121
_reflns_number_total             10967
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            jwh1m.cif
_cod_data_source_block           jwh1m
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
according to the built-in table from CIF Core dictionary named
'cif_core.dic' version 2.4.1 from 2010-06-29.

'_exptl_absorpt_correction_type' value 'Multi-scan' changed to
'multi-scan' according to the built-in table from CIF Core dictionary
named 'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_values 5376 2017-05-30 11:51:03Z andrius 
;
_cod_original_sg_symbol_H-M      P2(1)/c
_cod_database_code               1548692
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -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_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Si2A Si 0.41581(6) 0.40439(9) 0.21305(6) 0.0400(3) Uani 1 1 d . . .
Si1A Si 0.30014(7) 0.84456(10) 0.40437(7) 0.0449(3) Uani 1 1 d . . .
C1A C 0.38347(18) 0.5385(3) 0.43622(19) 0.0275(8) Uani 1 1 d . . .
C2A C 0.41854(17) 0.4961(3) 0.3878(2) 0.0285(8) Uani 1 1 d . . .
C3A C 0.46058(19) 0.5575(3) 0.3600(2) 0.0338(9) Uani 1 1 d . . .
H3A H 0.4848 0.5297 0.3271 0.041 Uiso 1 1 calc R . .
C4A C 0.4673(2) 0.6579(3) 0.3798(2) 0.0397(10) Uani 1 1 d . . .
H4A H 0.4970 0.6980 0.3620 0.048 Uiso 1 1 calc R . .
C5A C 0.4309(2) 0.6999(3) 0.4253(2) 0.0385(10) Uani 1 1 d . . .
H5A H 0.4348 0.7694 0.4376 0.046 Uiso 1 1 calc R . .
C6A C 0.38839(19) 0.6412(3) 0.4535(2) 0.0317(8) Uani 1 1 d . . .
C7A C 0.35047(19) 0.6823(3) 0.5052(2) 0.0313(8) Uani 1 1 d . . .
C8A C 0.3169(2) 0.7677(3) 0.4924(2) 0.0348(9) Uani 1 1 d . . .
C9A C 0.2883(2) 0.8095(4) 0.5531(2) 0.0412(10) Uani 1 1 d . . .
O1A O 0.2685(2) 0.8949(3) 0.54983(18) 0.0602(10) Uani 1 1 d . . .
C10A C 0.2861(2) 0.7464(4) 0.6207(3) 0.0476(11) Uani 1 1 d . . .
H10A H 0.2457 0.7546 0.6354 0.057 Uiso 1 1 calc R . .
H10B H 0.3169 0.7720 0.6617 0.057 Uiso 1 1 calc R . .
C11A C 0.2974(2) 0.6357(4) 0.6099(2) 0.0403(10) Uani 1 1 d . . .
H11A H 0.2619 0.6060 0.5774 0.048 Uiso 1 1 calc R . .
H11B H 0.3020 0.6009 0.6583 0.048 Uiso 1 1 calc R . .
C12A C 0.35469(19) 0.6183(3) 0.5755(2) 0.0326(8) Uani 1 1 d . . .
C13A C 0.3626(2) 0.5046(3) 0.5597(2) 0.0350(9) Uani 1 1 d . . .
H13A H 0.4057 0.4859 0.5758 0.042 Uiso 1 1 calc R . .
H13B H 0.3379 0.4649 0.5894 0.042 Uiso 1 1 calc R . .
C14A C 0.34373(17) 0.4762(3) 0.4778(2) 0.0282(8) Uani 1 1 d . . .
O2A O 0.28193(12) 0.5082(2) 0.45416(15) 0.0331(6) Uani 1 1 d . . .
H2A H 0.2589 0.4753 0.4771 0.050 Uiso 1 1 calc R . .
C15A C 0.3489(2) 0.3634(3) 0.4643(2) 0.0366(9) Uani 1 1 d . . .
H15A H 0.3149 0.3433 0.4252 0.044 Uiso 1 1 calc R . .
H15B H 0.3436 0.3274 0.5101 0.044 Uiso 1 1 calc R . .
C16A C 0.4082(2) 0.3275(3) 0.4417(2) 0.0345(9) Uani 1 1 d . . .
H16A H 0.4426 0.3421 0.4827 0.041 Uiso 1 1 calc R . .
C17A C 0.4045(3) 0.2151(3) 0.4283(3) 0.0489(12) Uani 1 1 d . . .
H17A H 0.4115 0.1793 0.4764 0.059 Uiso 1 1 calc R . .
H17B H 0.3634 0.1973 0.4023 0.059 Uiso 1 1 calc R . .
C18A C 0.4512(3) 0.1815(4) 0.3826(3) 0.0581(14) Uani 1 1 d . . .
H18A H 0.4925 0.1941 0.4105 0.070 Uiso 1 1 calc R . .
H18B H 0.4470 0.1082 0.3731 0.070 Uiso 1 1 calc R . .
C19A C 0.4435(2) 0.2373(3) 0.3098(3) 0.0455(11) Uani 1 1 d . . .
O3A O 0.4575(2) 0.1965(2) 0.2553(2) 0.0602(10) Uani 1 1 d . . .
C20A C 0.42466(19) 0.3442(3) 0.3083(2) 0.0342(9) Uani 1 1 d . . .
C21A C 0.41735(18) 0.3867(3) 0.3737(2) 0.0305(8) Uani 1 1 d . . .
C22A C 0.3115(3) 0.7732(5) 0.3202(3) 0.0723(18) Uani 1 1 d . . .
H22A H 0.2862 0.8027 0.2766 0.109 Uiso 1 1 calc R . .
H22B H 0.2999 0.7026 0.3252 0.109 Uiso 1 1 calc R . .
H22C H 0.3543 0.7768 0.3146 0.109 Uiso 1 1 calc R . .
C23A C 0.3482(3) 0.9599(4) 0.4151(4) 0.080(2) Uani 1 1 d . . .
H23A H 0.3444 0.9948 0.3674 0.120 Uiso 1 1 calc R . .
H23B H 0.3907 0.9409 0.4318 0.120 Uiso 1 1 calc R . .
H23C H 0.3348 1.0047 0.4516 0.120 Uiso 1 1 calc R . .
C24A C 0.2185(3) 0.8802(6) 0.3845(3) 0.0727(17) Uani 1 1 d . . .
H24A H 0.2087 0.9220 0.4249 0.109 Uiso 1 1 calc R . .
H24B H 0.1935 0.8191 0.3801 0.109 Uiso 1 1 calc R . .
H24C H 0.2103 0.9182 0.3381 0.109 Uiso 1 1 calc R . .
C25A C 0.3756(3) 0.5278(4) 0.2074(3) 0.0622(15) Uani 1 1 d . . .
H25A H 0.3567 0.5407 0.1560 0.093 Uiso 1 1 calc R . .
H25B H 0.4048 0.5815 0.2243 0.093 Uiso 1 1 calc R . .
H25C H 0.3442 0.5261 0.2387 0.093 Uiso 1 1 calc R . .
C26A C 0.3673(3) 0.3189(5) 0.1457(3) 0.0644(16) Uani 1 1 d . . .
H26A H 0.3600 0.3505 0.0967 0.097 Uiso 1 1 calc R . .
H26B H 0.3284 0.3072 0.1623 0.097 Uiso 1 1 calc R . .
H26C H 0.3882 0.2544 0.1429 0.097 Uiso 1 1 calc R . .
C27A C 0.4911(3) 0.4213(4) 0.1832(3) 0.0513(13) Uani 1 1 d . . .
H27A H 0.5159 0.3607 0.1957 0.077 Uiso 1 1 calc R . .
H27B H 0.5119 0.4797 0.2087 0.077 Uiso 1 1 calc R . .
H27C H 0.4851 0.4323 0.1297 0.077 Uiso 1 1 calc R . .
C28A C 0.4109(2) 0.6529(4) 0.6300(3) 0.0508(12) Uani 1 1 d . . .
H28A H 0.4474 0.6421 0.6079 0.076 Uiso 1 1 calc R . .
H28B H 0.4140 0.6139 0.6758 0.076 Uiso 1 1 calc R . .
H28C H 0.4070 0.7247 0.6409 0.076 Uiso 1 1 calc R . .
Si1B Si 0.08191(6) 0.60832(10) 0.40117(7) 0.0428(3) Uani 1 1 d . . .
Si2B Si 0.18900(8) 0.15402(13) 0.19056(8) 0.0598(4) Uani 1 1 d . . .
C1B C 0.12591(19) 0.4820(3) 0.1820(2) 0.0375(9) Uani 1 1 d . . .
C2B C 0.1677(2) 0.4062(4) 0.1775(3) 0.0518(12) Uani 1 1 d . A .
C3B C 0.2190(3) 0.3975(5) 0.2325(3) 0.0693(18) Uani 1 1 d . . .
H3B H 0.2479 0.3461 0.2290 0.083 Uiso 1 1 calc R A .
C4B C 0.2280(3) 0.4633(6) 0.2919(3) 0.076(2) Uani 1 1 d . . .
H4B H 0.2628 0.4564 0.3293 0.091 Uiso 1 1 calc R . .
C5B C 0.1867(2) 0.5383(5) 0.2968(3) 0.0573(14) Uani 1 1 d . . .
H5B H 0.1933 0.5838 0.3374 0.069 Uiso 1 1 calc R A .
C6B C 0.1353(2) 0.5483(4) 0.2430(3) 0.0450(11) Uani 1 1 d . . .
C7B C 0.0918(2) 0.6340(3) 0.2444(3) 0.0448(11) Uani 1 1 d . . .
C8B C 0.0739(2) 0.6681(3) 0.3063(2) 0.0406(10) Uani 1 1 d . . .
C9B C 0.0437(2) 0.7686(4) 0.3025(3) 0.0488(11) Uani 1 1 d . . .
O1B O 0.0393(2) 0.8139(3) 0.3595(2) 0.0666(11) Uani 1 1 d . . .
C10B C 0.0191(3) 0.8153(4) 0.2297(3) 0.0672(17) Uani 1 1 d . . .
H10C H 0.0443 0.8746 0.2223 0.081 Uiso 1 1 calc R . .
H10D H -0.0226 0.8396 0.2308 0.081 Uiso 1 1 calc R . .
C11B C 0.0176(3) 0.7444(5) 0.1650(3) 0.0680(17) Uani 1 1 d . . .
H11C H 0.0096 0.7832 0.1183 0.082 Uiso 1 1 calc R A .
H11D H -0.0156 0.6950 0.1645 0.082 Uiso 1 1 calc R . .
C12B C 0.0786(3) 0.6885(4) 0.1704(3) 0.0581(14) Uani 1 1 d . A .
C13B C 0.0830(3) 0.6208(5) 0.1051(3) 0.0489(15) Uani 0.79 1 d P A 1
H13C H 0.1233 0.6298 0.0905 0.059 Uiso 0.79 1 calc PR A 1
H13D H 0.0518 0.6414 0.0628 0.059 Uiso 0.79 1 calc PR A 1
C14B C 0.0741(3) 0.5098(4) 0.1218(3) 0.0404(12) Uani 0.79 1 d P A 1
O2B O 0.01658(18) 0.5046(3) 0.1462(2) 0.0423(9) Uani 0.79 1 d P A 1
H2B H 0.001(3) 0.448(6) 0.147(4) 0.063 Uiso 0.79 1 d P B 1
C15B C 0.0740(2) 0.4421(4) 0.0545(3) 0.0432(13) Uani 0.79 1 d P A 1
H15C H 0.0560 0.4806 0.0100 0.052 Uiso 0.79 1 calc PR A 1
H15D H 0.0468 0.3842 0.0588 0.052 Uiso 0.79 1 calc PR A 1
C28B C 0.1289(2) 0.7701(4) 0.1801(3) 0.123(5) Uani 0.79 1 d PR A 1
H28D H 0.1687 0.7376 0.1840 0.185 Uiso 0.79 1 calc PR A 1
H28E H 0.1272 0.8089 0.2252 0.185 Uiso 0.79 1 calc PR A 1
H28F H 0.1226 0.8154 0.1373 0.185 Uiso 0.79 1 calc PR A 1
C13C C 0.0484 0.6014 0.1269 0.044 Uani 0.21 1 d P A 2
H13E H 0.0313 0.6282 0.0794 0.053 Uiso 0.21 1 d P C 2
H13F H 0.0147 0.5835 0.1505 0.053 Uiso 0.21 1 d P D 2
C14C C 0.0813 0.4933 0.1104 0.044 Uani 0.21 1 d P A 2
O2C O 0.0519 0.3975 0.0989 0.044 Uani 0.21 1 d P A 2
H2C H 0.0215 0.3698 0.1128 0.066 Uiso 0.21 1 d P E 2
C15C C 0.1125 0.5036 0.0585 0.044 Uani 0.21 1 d P A 2
H15E H 0.1451 0.5503 0.0735 0.053 Uiso 0.21 1 d P F 2
H15F H 0.0872 0.5300 0.0152 0.053 Uiso 0.21 1 d P G 2
C28C C 0.1317 0.7406 0.1422 0.120 Uani 0.21 1 d P A 2
H28G H 0.1665 0.6970 0.1494 0.180 Uiso 0.21 1 d P H 2
H28H H 0.1203 0.7555 0.0905 0.180 Uiso 0.21 1 d P I 2
H28I H 0.1415 0.8022 0.1691 0.180 Uiso 0.21 1 d P J 2
C16B C 0.1372(3) 0.3993(5) 0.0414(3) 0.0595(14) Uani 1 1 d . . .
H16B H 0.1667 0.4601 0.0346 0.071 Uiso 0.79 1 d P K 1
H16C H 0.1779 0.4280 0.0337 0.071 Uiso 0.21 1 d P L 2
C17B C 0.1311(3) 0.3364(6) -0.0257(3) 0.082(2) Uani 1 1 d . A .
H17C H 0.1257 0.3805 -0.0699 0.098 Uiso 1 1 calc R . .
H17D H 0.0946 0.2934 -0.0287 0.098 Uiso 1 1 calc R . .
C18B C 0.1871(3) 0.2692(5) -0.0258(3) 0.0695(17) Uani 1 1 d . . .
H18C H 0.1808 0.2257 -0.0703 0.083 Uiso 1 1 calc R A .
H18D H 0.2232 0.3119 -0.0275 0.083 Uiso 1 1 calc R . .
C19B C 0.1981(2) 0.2047(4) 0.0423(3) 0.0499(12) Uani 1 1 d . A .
O3B O 0.22327(17) 0.1216(3) 0.04279(19) 0.0585(10) Uani 1 1 d . . .
C20B C 0.1823(2) 0.2459(4) 0.1113(2) 0.0455(11) Uani 1 1 d . . .
C21B C 0.1624(2) 0.3421(4) 0.1106(2) 0.0500(12) Uani 1 1 d . A .
C22B C 0.0958(4) 0.4684(4) 0.3994(3) 0.0755(19) Uani 1 1 d . . .
H22D H 0.1396 0.4556 0.4047 0.113 Uiso 1 1 calc R . .
H22E H 0.0753 0.4404 0.3524 0.113 Uiso 1 1 calc R . .
H22F H 0.0799 0.4362 0.4403 0.113 Uiso 1 1 calc R . .
C23B C 0.1436(3) 0.6646(4) 0.4690(3) 0.0584(14) Uani 1 1 d . . .
H23D H 0.1399 0.7382 0.4675 0.088 Uiso 1 1 calc R . .
H23E H 0.1830 0.6449 0.4567 0.088 Uiso 1 1 calc R . .
H23F H 0.1406 0.6404 0.5187 0.088 Uiso 1 1 calc R . .
C24B C 0.0087(3) 0.6248(7) 0.4356(4) 0.094(3) Uani 1 1 d . . .
H24D H 0.0121 0.5957 0.4852 0.141 Uiso 1 1 calc R . .
H24E H -0.0238 0.5905 0.4021 0.141 Uiso 1 1 calc R . .
H24F H -0.0008 0.6968 0.4375 0.141 Uiso 1 1 calc R . .
C25B C 0.1392(4) 0.1926(7) 0.2580(4) 0.097(3) Uani 1 1 d . . .
H25D H 0.1254 0.1325 0.2814 0.145 Uiso 1 1 calc R A .
H25E H 0.1039 0.2295 0.2319 0.145 Uiso 1 1 calc R . .
H25F H 0.1621 0.2361 0.2959 0.145 Uiso 1 1 calc R . .
C26B C 0.2684(3) 0.1290(6) 0.2364(4) 0.084(2) Uani 1 1 d . . .
H26D H 0.2946 0.1230 0.1988 0.126 Uiso 1 1 calc R A .
H26E H 0.2698 0.0661 0.2646 0.126 Uiso 1 1 calc R . .
H26F H 0.2826 0.1848 0.2699 0.126 Uiso 1 1 calc R . .
C27B C 0.1566(3) 0.0301(6) 0.1541(5) 0.088(2) Uani 1 1 d . . .
H27D H 0.1201 0.0418 0.1172 0.132 Uiso 1 1 calc R A .
H27E H 0.1459 -0.0101 0.1949 0.132 Uiso 1 1 calc R . .
H27F H 0.1867 -0.0063 0.1312 0.132 Uiso 1 1 calc R . .
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
C25A Si2A C27A 109.1(3) . .
C25A Si2A C26A 105.9(3) . .
C27A Si2A C26A 109.1(2) . .
C25A Si2A C20A 113.3(2) . .
C27A Si2A C20A 111.1(2) . .
C26A Si2A C20A 108.1(2) . .
C24A Si1A C23A 110.0(3) . .
C24A Si1A C22A 103.5(3) . .
C23A Si1A C22A 110.4(3) . .
C24A Si1A C8A 110.4(2) . .
C23A Si1A C8A 109.0(2) . .
C22A Si1A C8A 113.5(2) . .
C6A C1A C2A 120.3(3) . .
C6A C1A C14A 116.7(3) . .
C2A C1A C14A 122.7(3) . .
C1A C2A C3A 118.6(4) . .
C1A C2A C21A 120.8(3) . .
C3A C2A C21A 120.1(3) . .
C4A C3A C2A 121.0(4) . .
C4A C3A H3A 119.5 . .
C2A C3A H3A 119.5 . .
C5A C4A C3A 119.9(4) . .
C5A C4A H4A 120.0 . .
C3A C4A H4A 120.0 . .
C4A C5A C6A 120.5(4) . .
C4A C5A H5A 119.7 . .
C6A C5A H5A 119.7 . .
C5A C6A C1A 119.5(4) . .
C5A C6A C7A 122.1(4) . .
C1A C6A C7A 118.2(3) . .
C8A C7A C6A 123.8(3) . .
C8A C7A C12A 124.1(4) . .
C6A C7A C12A 112.1(3) . .
C7A C8A C9A 118.6(4) . .
C7A C8A Si1A 128.3(3) . .
C9A C8A Si1A 113.1(3) . .
O1A C9A C8A 120.7(4) . .
O1A C9A C10A 119.9(4) . .
C8A C9A C10A 119.4(4) . .
C9A C10A C11A 113.8(4) . .
C9A C10A H10A 108.8 . .
C11A C10A H10A 108.8 . .
C9A C10A H10B 108.8 . .
C11A C10A H10B 108.8 . .
H10A C10A H10B 107.7 . .
C10A C11A C12A 111.6(4) . .
C10A C11A H11A 109.3 . .
C12A C11A H11A 109.3 . .
C10A C11A H11B 109.3 . .
C12A C11A H11B 109.3 . .
H11A C11A H11B 108.0 . .
C7A C12A C28A 108.0(3) . .
C7A C12A C11A 109.0(3) . .
C28A C12A C11A 109.5(3) . .
C7A C12A C13A 111.9(3) . .
C28A C12A C13A 107.8(4) . .
C11A C12A C13A 110.5(3) . .
C14A C13A C12A 113.6(3) . .
C14A C13A H13A 108.8 . .
C12A C13A H13A 108.8 . .
C14A C13A H13B 108.8 . .
C12A C13A H13B 108.8 . .
H13A C13A H13B 107.7 . .
O2A C14A C1A 107.5(3) . .
O2A C14A C15A 109.6(3) . .
C1A C14A C15A 112.8(3) . .
O2A C14A C13A 108.2(3) . .
C1A C14A C13A 105.8(3) . .
C15A C14A C13A 112.6(3) . .
C14A O2A H2A 109.5 . .
C14A C15A C16A 116.2(3) . .
C14A C15A H15A 108.2 . .
C16A C15A H15A 108.2 . .
C14A C15A H15B 108.2 . .
C16A C15A H15B 108.2 . .
H15A C15A H15B 107.4 . .
C17A C16A C21A 112.9(3) . .
C17A C16A C15A 109.0(4) . .
C21A C16A C15A 107.8(3) . .
C17A C16A H16A 109.0 . .
C21A C16A H16A 109.0 . .
C15A C16A H16A 109.0 . .
C18A C17A C16A 110.9(4) . .
C18A C17A H17A 109.5 . .
C16A C17A H17A 109.5 . .
C18A C17A H17B 109.5 . .
C16A C17A H17B 109.5 . .
H17A C17A H17B 108.1 . .
C19A C18A C17A 111.1(4) . .
C19A C18A H18A 109.4 . .
C17A C18A H18A 109.4 . .
C19A C18A H18B 109.4 . .
C17A C18A H18B 109.4 . .
H18A C18A H18B 108.0 . .
O3A C19A C20A 121.3(4) . .
O3A C19A C18A 120.0(4) . .
C20A C19A C18A 118.4(4) . .
C21A C20A C19A 117.2(4) . .
C21A C20A Si2A 128.9(3) . .
C19A C20A Si2A 113.9(3) . .
C20A C21A C2A 124.1(3) . .
C20A C21A C16A 124.4(4) . .
C2A C21A C16A 111.5(3) . .
Si1A C22A H22A 109.5 . .
Si1A C22A H22B 109.5 . .
H22A C22A H22B 109.5 . .
Si1A C22A H22C 109.5 . .
H22A C22A H22C 109.5 . .
H22B C22A H22C 109.5 . .
Si1A C23A H23A 109.5 . .
Si1A C23A H23B 109.5 . .
H23A C23A H23B 109.5 . .
Si1A C23A H23C 109.5 . .
H23A C23A H23C 109.5 . .
H23B C23A H23C 109.5 . .
Si1A C24A H24A 109.5 . .
Si1A C24A H24B 109.5 . .
H24A C24A H24B 109.5 . .
Si1A C24A H24C 109.5 . .
H24A C24A H24C 109.5 . .
H24B C24A H24C 109.5 . .
Si2A C25A H25A 109.5 . .
Si2A C25A H25B 109.5 . .
H25A C25A H25B 109.5 . .
Si2A C25A H25C 109.5 . .
H25A C25A H25C 109.5 . .
H25B C25A H25C 109.5 . .
Si2A C26A H26A 109.5 . .
Si2A C26A H26B 109.5 . .
H26A C26A H26B 109.5 . .
Si2A C26A H26C 109.5 . .
H26A C26A H26C 109.5 . .
H26B C26A H26C 109.5 . .
Si2A C27A H27A 109.5 . .
Si2A C27A H27B 109.5 . .
H27A C27A H27B 109.5 . .
Si2A C27A H27C 109.5 . .
H27A C27A H27C 109.5 . .
H27B C27A H27C 109.5 . .
C12A C28A H28A 109.5 . .
C12A C28A H28B 109.5 . .
H28A C28A H28B 109.5 . .
C12A C28A H28C 109.5 . .
H28A C28A H28C 109.5 . .
H28B C28A H28C 109.5 . .
C23B Si1B C24B 108.7(3) . .
C23B Si1B C22B 107.6(3) . .
C24B Si1B C22B 106.2(4) . .
C23B Si1B C8B 113.2(2) . .
C24B Si1B C8B 108.1(3) . .
C22B Si1B C8B 112.8(2) . .
C26B Si2B C25B 112.2(4) . .
C26B Si2B C27B 106.7(3) . .
C25B Si2B C27B 103.8(4) . .
C26B Si2B C20B 114.2(3) . .
C25B Si2B C20B 110.8(3) . .
C27B Si2B C20B 108.5(3) . .
C2B C1B C6B 119.3(4) . .
C2B C1B C14B 125.2(4) . .
C6B C1B C14B 115.0(4) . .
C2B C1B C14C 111.8(3) . .
C6B C1B C14C 127.8(4) . .
C1B C2B C3B 119.7(5) . .
C1B C2B C21B 120.5(4) . .
C3B C2B C21B 119.4(5) . .
C4B C3B C2B 120.6(5) . .
C4B C3B H3B 119.7 . .
C2B C3B H3B 119.7 . .
C5B C4B C3B 120.0(5) . .
C5B C4B H4B 120.0 . .
C3B C4B H4B 120.0 . .
C4B C5B C6B 120.5(5) . .
C4B C5B H5B 119.8 . .
C6B C5B H5B 119.8 . .
C5B C6B C1B 119.9(5) . .
C5B C6B C7B 121.4(4) . .
C1B C6B C7B 118.5(4) . .
C8B C7B C6B 123.8(4) . .
C8B C7B C12B 123.6(4) . .
C6B C7B C12B 111.9(4) . .
C7B C8B C9B 117.2(4) . .
C7B C8B Si1B 129.8(3) . .
C9B C8B Si1B 113.0(3) . .
O1B C9B C10B 119.4(4) . .
O1B C9B C8B 119.9(4) . .
C10B C9B C8B 120.7(4) . .
C9B C10B C11B 113.7(4) . .
C9B C10B H10C 108.8 . .
C11B C10B H10C 108.8 . .
C9B C10B H10D 108.8 . .
C11B C10B H10D 108.8 . .
H10C C10B H10D 107.7 . .
C10B C11B C12B 110.3(5) . .
C10B C11B H11C 109.6 . .
C12B C11B H11C 109.6 . .
C10B C11B H11D 109.6 . .
C12B C11B H11D 109.6 . .
H11C C11B H11D 108.1 . .
C13C C12B C7B 96.4(4) . .
C13B C12B C7B 113.3(4) . .
C13C C12B C28C 118.1(3) . .
C7B C12B C28C 118.0(4) . .
C13B C12B C11B 114.2(5) . .
C7B C12B C11B 108.9(4) . .
C28C C12B C11B 119.1(4) . .
C13B C12B C28B 111.3(5) . .
C7B C12B C28B 101.6(4) . .
C11B C12B C28B 106.7(5) . .
C12B C13B C14B 112.7(5) . .
C12B C13B H13C 109.0 . .
C14B C13B H13C 109.0 . .
C12B C13B H13D 109.0 . .
C14B C13B H13D 109.0 . .
H13C C13B H13D 107.8 . .
O2B C14B C1B 112.2(4) . .
O2B C14B C13B 105.3(5) . .
C1B C14B C13B 106.0(5) . .
O2B C14B C15B 110.2(4) . .
C1B C14B C15B 110.2(5) . .
C13B C14B C15B 112.9(5) . .
C14B O2B H2B 117(5) . .
C14B C15B C16B 117.1(4) . .
C14B C15B H15C 108.0 . .
C16B C15B H15C 108.0 . .
C14B C15B H15D 108.0 . .
C16B C15B H15D 108.0 . .
H15C C15B H15D 107.3 . .
C12B C28B H28D 109.5 . .
C12B C28B H28E 109.5 . .
H28D C28B H28E 109.5 . .
C12B C28B H28F 109.5 . .
H28D C28B H28F 109.5 . .
H28E C28B H28F 109.5 . .
C12B C13C C14C 126.1(2) . .
C12B C13C H13E 105.9 . .
C14C C13C H13E 105.8 . .
C12B C13C H13F 105.6 . .
C14C C13C H13F 105.8 . .
H13E C13C H13F 106.2 . .
C15C C14C O2C 106.2 . .
C15C C14C C1B 107.26(16) . .
O2C C14C C1B 104.93(17) . .
C15C C14C C13C 110.9 . .
O2C C14C C13C 125.9 . .
C1B C14C C13C 99.97(17) . .
C14C O2C H2C 135.4 . .
C14C C15C C16B 108.4(2) . .
C14C C15C H15E 109.8 . .
C16B C15C H15E 110.8 . .
C14C C15C H15F 109.8 . .
C16B C15C H15F 109.9 . .
H15E C15C H15F 108.2 . .
C12B C28C H28G 109.7 . .
C12B C28C H28H 109.4 . .
H28G C28C H28H 109.5 . .
C12B C28C H28I 109.3 . .
H28G C28C H28I 109.5 . .
H28H C28C H28I 109.5 . .
C17B C16B C21B 112.9(5) . .
C17B C16B C15C 133.8(4) . .
C21B C16B C15C 112.1(4) . .
C17B C16B C15B 111.8(5) . .
C21B C16B C15B 105.6(4) . .
C17B C16B H16B 107.6 . .
C21B C16B H16B 109.4 . .
C15B C16B H16B 109.5 . .
C16B C17B C18B 111.6(5) . .
C16B C17B H17C 109.3 . .
C18B C17B H17C 109.3 . .
C16B C17B H17D 109.3 . .
C18B C17B H17D 109.3 . .
H17C C17B H17D 108.0 . .
C19B C18B C17B 110.4(5) . .
C19B C18B H18C 109.6 . .
C17B C18B H18C 109.6 . .
C19B C18B H18D 109.6 . .
C17B C18B H18D 109.6 . .
H18C C18B H18D 108.1 . .
O3B C19B C20B 119.9(5) . .
O3B C19B C18B 121.6(4) . .
C20B C19B C18B 118.3(4) . .
C21B C20B C19B 118.0(4) . .
C21B C20B Si2B 126.9(4) . .
C19B C20B Si2B 115.0(4) . .
C20B C21B C2B 123.7(4) . .
C20B C21B C16B 124.0(4) . .
C2B C21B C16B 112.1(4) . .
Si1B C22B H22D 109.5 . .
Si1B C22B H22E 109.5 . .
H22D C22B H22E 109.5 . .
Si1B C22B H22F 109.5 . .
H22D C22B H22F 109.5 . .
H22E C22B H22F 109.5 . .
Si1B C23B H23D 109.5 . .
Si1B C23B H23E 109.5 . .
H23D C23B H23E 109.5 . .
Si1B C23B H23F 109.5 . .
H23D C23B H23F 109.5 . .
H23E C23B H23F 109.5 . .
Si1B C24B H24D 109.5 . .
Si1B C24B H24E 109.5 . .
H24D C24B H24E 109.5 . .
Si1B C24B H24F 109.5 . .
H24D C24B H24F 109.5 . .
H24E C24B H24F 109.5 . .
Si2B C25B H25D 109.5 . .
Si2B C25B H25E 109.5 . .
H25D C25B H25E 109.5 . .
Si2B C25B H25F 109.5 . .
H25D C25B H25F 109.5 . .
H25E C25B H25F 109.5 . .
Si2B C26B H26D 109.5 . .
Si2B C26B H26E 109.5 . .
H26D C26B H26E 109.5 . .
Si2B C26B H26F 109.5 . .
H26D C26B H26F 109.5 . .
H26E C26B H26F 109.5 . .
Si2B C27B H27D 109.5 . .
Si2B C27B H27E 109.5 . .
H27D C27B H27E 109.5 . .
Si2B C27B H27F 109.5 . .
H27D C27B H27F 109.5 . .
H27E C27B H27F 109.5 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Si2A C25A 1.861(5) .
Si2A C27A 1.869(5) .
Si2A C26A 1.881(5) .
Si2A C20A 1.901(4) .
Si1A C24A 1.859(7) .
Si1A C23A 1.860(6) .
Si1A C22A 1.865(6) .
Si1A C8A 1.894(4) .
C1A C6A 1.398(5) .
C1A C2A 1.399(5) .
C1A C14A 1.512(5) .
C2A C3A 1.402(5) .
C2A C21A 1.474(5) .
C3A C4A 1.382(6) .
C3A H3A 0.9500 .
C4A C5A 1.379(6) .
C4A H4A 0.9500 .
C5A C6A 1.393(5) .
C5A H5A 0.9500 .
C6A C7A 1.479(5) .
C7A C8A 1.358(6) .
C7A C12A 1.535(5) .
C8A C9A 1.483(6) .
C9A O1A 1.214(6) .
C9A C10A 1.503(6) .
C10A C11A 1.510(7) .
C10A H10A 0.9900 .
C10A H10B 0.9900 .
C11A C12A 1.537(6) .
C11A H11A 0.9900 .
C11A H11B 0.9900 .
C12A C28A 1.536(6) .
C12A C13A 1.552(6) .
C13A C14A 1.537(5) .
C13A H13A 0.9900 .
C13A H13B 0.9900 .
C14A O2A 1.439(5) .
C14A C15A 1.524(5) .
O2A H2A 0.8400 .
C15A C16A 1.530(6) .
C15A H15A 0.9900 .
C15A H15B 0.9900 .
C16A C17A 1.512(6) .
C16A C21A 1.517(5) .
C16A H16A 1.0000 .
C17A C18A 1.512(7) .
C17A H17A 0.9900 .
C17A H17B 0.9900 .
C18A C19A 1.511(7) .
C18A H18A 0.9900 .
C18A H18B 0.9900 .
C19A O3A 1.224(5) .
C19A C20A 1.478(6) .
C20A C21A 1.361(5) .
C22A H22A 0.9800 .
C22A H22B 0.9800 .
C22A H22C 0.9800 .
C23A H23A 0.9800 .
C23A H23B 0.9800 .
C23A H23C 0.9800 .
C24A H24A 0.9800 .
C24A H24B 0.9800 .
C24A H24C 0.9800 .
C25A H25A 0.9800 .
C25A H25B 0.9800 .
C25A H25C 0.9800 .
C26A H26A 0.9800 .
C26A H26B 0.9800 .
C26A H26C 0.9800 .
C27A H27A 0.9800 .
C27A H27B 0.9800 .
C27A H27C 0.9800 .
C28A H28A 0.9800 .
C28A H28B 0.9800 .
C28A H28C 0.9800 .
Si1B C23B 1.851(5) .
Si1B C24B 1.863(7) .
Si1B C22B 1.883(6) .
Si1B C8B 1.893(5) .
Si2B C26B 1.859(6) .
Si2B C25B 1.870(7) .
Si2B C27B 1.873(8) .
Si2B C20B 1.885(5) .
C1B C2B 1.382(7) .
C1B C6B 1.411(6) .
C1B C14B 1.506(7) .
C1B C14C 1.517(4) .
C2B C3B 1.398(7) .
C2B C21B 1.482(7) .
C3B C4B 1.384(8) .
C3B H3B 0.9500 .
C4B C5B 1.369(8) .
C4B H4B 0.9500 .
C5B C6B 1.389(7) .
C5B H5B 0.9500 .
C6B C7B 1.498(7) .
C7B C8B 1.346(6) .
C7B C12B 1.523(7) .
C8B C9B 1.491(6) .
C9B O1B 1.225(6) .
C9B C10B 1.490(7) .
C10B C11B 1.511(8) .
C10B H10C 0.9900 .
C10B H10D 0.9900 .
C11B C12B 1.539(8) .
C11B H11C 0.9900 .
C11B H11D 0.9900 .
C12B C13C 1.497(6) .
C12B C13B 1.514(8) .
C12B C28C 1.538(6) .
C12B C28B 1.549(8) .
C13B C14B 1.523(8) .
C13B H13C 0.9900 .
C13B H13D 0.9900 .
C13B H13E 1.1745 .
C14B O2B 1.432(7) .
C14B C15B 1.526(8) .
O2B H2B 0.83(8) .
O2B H13F 1.0507 .
C15B C16B 1.578(8) .
C15B H15C 0.9900 .
C15B H15D 0.9900 .
C28B H28D 0.9800 .
C28B H28E 0.9800 .
C28B H28F 0.9800 .
C28B H28I 0.5664 .
C13C C14C 1.6628 .
C13C H13E 0.9601 .
C13C H13F 0.9600 .
C14C C15C 1.2774 .
C14C O2C 1.4298 .
O2C H2C 0.8500 .
C15C C16B 1.542(6) .
C15C H15E 0.9600 .
C15C H15F 0.9600 .
C28C H28G 0.9600 .
C28C H28H 0.9601 .
C28C H28I 0.9600 .
C16B C17B 1.476(8) .
C16B C21B 1.504(7) .
C16B H16B 1.0620 .
C16B H16C 1.0169 .
C17B C18B 1.536(9) .
C17B H17C 0.9900 .
C17B H17D 0.9900 .
C18B C19B 1.500(8) .
C18B H18C 0.9900 .
C18B H18D 0.9900 .
C19B O3B 1.236(6) .
C19B C20B 1.475(6) .
C20B C21B 1.351(7) .
C22B H22D 0.9800 .
C22B H22E 0.9800 .
C22B H22F 0.9800 .
C23B H23D 0.9800 .
C23B H23E 0.9800 .
C23B H23F 0.9800 .
C24B H24D 0.9800 .
C24B H24E 0.9800 .
C24B H24F 0.9800 .
C25B H25D 0.9800 .
C25B H25E 0.9800 .
C25B H25F 0.9800 .
C26B H26D 0.9800 .
C26B H26E 0.9800 .
C26B H26F 0.9800 .
C27B H27D 0.9800 .
C27B H27E 0.9800 .
C27B H27F 0.9800 .
loop_
_geom_hbond_atom_site_label_D
_geom_hbond_atom_site_label_H
_geom_hbond_atom_site_label_A
_geom_hbond_distance_DH
_geom_hbond_distance_HA
_geom_hbond_distance_DA
_geom_hbond_angle_DHA
_geom_hbond_site_symmetry_A
O2A H2A O3B 0.84 2.02 2.837(4) 165.5 4_566
O2B H2B O1B 0.83(8) 1.98(8) 2.815(6) 176(8) 2_545
O2C H2C O1B 0.85 1.70 2.548(4) 179.8 2_545
C4A H4A O3A 0.95 2.53 3.261(5) 133.8 2_655
C4B H4B O2A 0.95 2.36 3.076(6) 131.6 .
C24A H24A O1A 0.98 2.48 3.057(7) 117.6 .
C24B H24F O1B 0.98 2.39 3.006(10) 120.5 .
C26A H26C O3A 0.98 2.48 3.061(8) 117.6 .
C27B H27F O3B 0.98 2.57 2.983(9) 105.1 .
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
C6A C1A C2A C3A 3.1(6) . . . .
C14A C1A C2A C3A -170.8(4) . . . .
C6A C1A C2A C21A 175.1(4) . . . .
C14A C1A C2A C21A 1.2(6) . . . .
C1A C2A C3A C4A -0.1(6) . . . .
C21A C2A C3A C4A -172.3(4) . . . .
C2A C3A C4A C5A -2.4(7) . . . .
C3A C4A C5A C6A 1.9(7) . . . .
C4A C5A C6A C1A 1.0(7) . . . .
C4A C5A C6A C7A 177.1(4) . . . .
C2A C1A C6A C5A -3.5(6) . . . .
C14A C1A C6A C5A 170.7(4) . . . .
C2A C1A C6A C7A -179.8(4) . . . .
C14A C1A C6A C7A -5.5(5) . . . .
C5A C6A C7A C8A 51.7(6) . . . .
C1A C6A C7A C8A -132.1(4) . . . .
C5A C6A C7A C12A -127.0(4) . . . .
C1A C6A C7A C12A 49.2(5) . . . .
C6A C7A C8A C9A -170.9(4) . . . .
C12A C7A C8A C9A 7.8(6) . . . .
C6A C7A C8A Si1A 9.4(6) . . . .
C12A C7A C8A Si1A -172.0(3) . . . .
C24A Si1A C8A C7A 135.5(4) . . . .
C23A Si1A C8A C7A -103.5(5) . . . .
C22A Si1A C8A C7A 19.9(5) . . . .
C24A Si1A C8A C9A -44.2(4) . . . .
C23A Si1A C8A C9A 76.7(4) . . . .
C22A Si1A C8A C9A -159.9(4) . . . .
C7A C8A C9A O1A 165.0(4) . . . .
Si1A C8A C9A O1A -15.2(6) . . . .
C7A C8A C9A C10A -12.6(6) . . . .
Si1A C8A C9A C10A 167.2(3) . . . .
O1A C9A C10A C11A 165.6(5) . . . .
C8A C9A C10A C11A -16.8(6) . . . .
C9A C10A C11A C12A 49.7(5) . . . .
C8A C7A C12A C28A -94.1(5) . . . .
C6A C7A C12A C28A 84.6(4) . . . .
C8A C7A C12A C11A 24.8(5) . . . .
C6A C7A C12A C11A -156.5(3) . . . .
C8A C7A C12A C13A 147.3(4) . . . .
C6A C7A C12A C13A -33.9(5) . . . .
C10A C11A C12A C7A -52.4(5) . . . .
C10A C11A C12A C28A 65.6(5) . . . .
C10A C11A C12A C13A -175.8(4) . . . .
C7A C12A C13A C14A -19.0(5) . . . .
C28A C12A C13A C14A -137.7(4) . . . .
C11A C12A C13A C14A 102.7(4) . . . .
C6A C1A C14A O2A 68.0(4) . . . .
C2A C1A C14A O2A -117.9(4) . . . .
C6A C1A C14A C15A -171.0(4) . . . .
C2A C1A C14A C15A 3.1(5) . . . .
C6A C1A C14A C13A -47.5(5) . . . .
C2A C1A C14A C13A 126.6(4) . . . .
C12A C13A C14A O2A -55.8(4) . . . .
C12A C13A C14A C1A 59.2(4) . . . .
C12A C13A C14A C15A -177.1(3) . . . .
O2A C14A C15A C16A 144.9(3) . . . .
C1A C14A C15A C16A 25.2(5) . . . .
C13A C14A C15A C16A -94.5(4) . . . .
C14A C15A C16A C17A -178.2(4) . . . .
C14A C15A C16A C21A -55.4(5) . . . .
C21A C16A C17A C18A 41.5(6) . . . .
C15A C16A C17A C18A 161.2(4) . . . .
C16A C17A C18A C19A -57.1(6) . . . .
C17A C18A C19A O3A -150.0(5) . . . .
C17A C18A C19A C20A 36.0(7) . . . .
O3A C19A C20A C21A -171.9(5) . . . .
C18A C19A C20A C21A 2.1(7) . . . .
O3A C19A C20A Si2A 6.7(6) . . . .
C18A C19A C20A Si2A -179.3(4) . . . .
C25A Si2A C20A C21A -14.8(5) . . . .
C27A Si2A C20A C21A 108.5(4) . . . .
C26A Si2A C20A C21A -131.8(4) . . . .
C25A Si2A C20A C19A 166.8(4) . . . .
C27A Si2A C20A C19A -69.9(4) . . . .
C26A Si2A C20A C19A 49.7(4) . . . .
C19A C20A C21A C2A 159.3(4) . . . .
Si2A C20A C21A C2A -19.1(6) . . . .
C19A C20A C21A C16A -19.5(6) . . . .
Si2A C20A C21A C16A 162.2(3) . . . .
C1A C2A C21A C20A 148.1(4) . . . .
C3A C2A C21A C20A -39.9(6) . . . .
C1A C2A C21A C16A -33.0(5) . . . .
C3A C2A C21A C16A 139.0(4) . . . .
C17A C16A C21A C20A -3.2(6) . . . .
C15A C16A C21A C20A -123.5(4) . . . .
C17A C16A C21A C2A 178.0(4) . . . .
C15A C16A C21A C2A 57.6(4) . . . .
C6B C1B C2B C3B -1.1(8) . . . .
C14B C1B C2B C3B 170.3(6) . . . .
C14C C1B C2B C3B 167.7(5) . . . .
C6B C1B C2B C21B -173.7(5) . . . .
C14B C1B C2B C21B -2.3(8) . . . .
C14C C1B C2B C21B -4.9(7) . . . .
C1B C2B C3B C4B 0.8(10) . . . .
C21B C2B C3B C4B 173.5(6) . . . .
C2B C3B C4B C5B -0.7(11) . . . .
C3B C4B C5B C6B 0.8(11) . . . .
C4B C5B C6B C1B -1.1(9) . . . .
C4B C5B C6B C7B -175.7(6) . . . .
C2B C1B C6B C5B 1.2(8) . . . .
C14B C1B C6B C5B -171.0(5) . . . .
C14C C1B C6B C5B -165.6(4) . . . .
C2B C1B C6B C7B 176.0(5) . . . .
C14B C1B C6B C7B 3.8(6) . . . .
C14C C1B C6B C7B 9.2(7) . . . .
C5B C6B C7B C8B -41.6(8) . . . .
C1B C6B C7B C8B 143.6(5) . . . .
C5B C6B C7B C12B 129.0(6) . . . .
C1B C6B C7B C12B -45.7(6) . . . .
C6B C7B C8B C9B 164.7(5) . . . .
C12B C7B C8B C9B -4.8(8) . . . .
C6B C7B C8B Si1B -14.3(8) . . . .
C12B C7B C8B Si1B 176.1(4) . . . .
C23B Si1B C8B C7B 102.9(5) . . . .
C24B Si1B C8B C7B -136.6(6) . . . .
C22B Si1B C8B C7B -19.6(6) . . . .
C23B Si1B C8B C9B -76.2(4) . . . .
C24B Si1B C8B C9B 44.3(5) . . . .
C22B Si1B C8B C9B 161.4(4) . . . .
C7B C8B C9B O1B -162.8(5) . . . .
Si1B C8B C9B O1B 16.4(7) . . . .
C7B C8B C9B C10B 16.6(8) . . . .
Si1B C8B C9B C10B -164.3(5) . . . .
O1B C9B C10B C11B -170.0(6) . . . .
C8B C9B C10B C11B 10.7(9) . . . .
C9B C10B C11B C12B -47.0(8) . . . .
C8B C7B C12B C13C -125.1(5) . . . .
C6B C7B C12B C13C 64.2(5) . . . .
C8B C7B C12B C13B -159.7(5) . . . .
C6B C7B C12B C13B 29.6(7) . . . .
C8B C7B C12B C28C 108.3(6) . . . .
C6B C7B C12B C28C -62.4(6) . . . .
C8B C7B C12B C11B -31.4(8) . . . .
C6B C7B C12B C11B 157.9(5) . . . .
C8B C7B C12B C28B 80.9(6) . . . .
C6B C7B C12B C28B -89.8(5) . . . .
C10B C11B C12B C13C 153.5(5) . . . .
C10B C11B C12B C13B -176.1(5) . . . .
C10B C11B C12B C7B 56.2(7) . . . .
C10B C11B C12B C28C -83.0(6) . . . .
C10B C11B C12B C28B -52.7(6) . . . .
C13C C12B C13B C14B -45.3(4) . . . .
C7B C12B C13B C14B 23.2(7) . . . .
C28C C12B C13B C14B 139.9(5) . . . .
C11B C12B C13B C14B -102.2(6) . . . .
C28B C12B C13B C14B 137.0(5) . . . .
C2B C1B C14B O2B 123.3(6) . . . .
C6B C1B C14B O2B -64.9(6) . . . .
C14C C1B C14B O2B 133.5(11) . . . .
C2B C1B C14B C13B -122.3(6) . . . .
C6B C1B C14B C13B 49.4(6) . . . .
C14C C1B C14B C13B -112.2(10) . . . .
C2B C1B C14B C15B 0.1(7) . . . .
C6B C1B C14B C15B 171.8(4) . . . .
C14C C1B C14B C15B 10.3(6) . . . .
C12B C13B C14B O2B 55.6(6) . . . .
C12B C13B C14B C1B -63.4(6) . . . .
C12B C13B C14B C15B 175.9(5) . . . .
O2B C14B C15B C16B -153.3(5) . . . .
C1B C14B C15B C16B -29.0(6) . . . .
C13B C14B C15B C16B 89.3(6) . . . .
C13B C12B C13C C14C 55.5(4) . . . .
C7B C12B C13C C14C -65.1(4) . . . .
C28C C12B C13C C14C 61.4(4) . . . .
C11B C12B C13C C14C -174.3(2) . . . .
C28B C12B C13C C14C 59.7(9) . . . .
C2B C1B C14C C15C -53.0(4) . . . .
C6B C1B C14C C15C 114.7(4) . . . .
C14B C1B C14C C15C 136.0(9) . . . .
C2B C1B C14C O2C 59.8(4) . . . .
C6B C1B C14C O2C -132.6(4) . . . .
C14B C1B C14C O2C -111.3(9) . . . .
C2B C1B C14C C13C -168.7(4) . . . .
C6B C1B C14C C13C -1.0(5) . . . .
C14B C1B C14C C13C 20.2(9) . . . .
C12B C13C C14C C15C -78.7(2) . . . .
C12B C13C C14C O2C 151.0(2) . . . .
C12B C13C C14C C1B 34.2(3) . . . .
O2C C14C C15C C16B -35.3(2) . . . .
C1B C14C C15C C16B 76.5(3) . . . .
C13C C14C C15C C16B -175.3(2) . . . .
C14C C15C C16B C17B 121.6(7) . . . .
C14C C15C C16B C21B -44.3(5) . . . .
C14C C15C C16B C15B 45.7(3) . . . .
C14B C15B C16B C17B -179.2(5) . . . .
C14B C15B C16B C21B 57.7(6) . . . .
C14B C15B C16B C15C -48.2(4) . . . .
C21B C16B C17B C18B -43.3(8) . . . .
C15C C16B C17B C18B 150.8(6) . . . .
C15B C16B C17B C18B -162.2(6) . . . .
C16B C17B C18B C19B 56.5(8) . . . .
C17B C18B C19B O3B 151.9(6) . . . .
C17B C18B C19B C20B -32.9(8) . . . .
O3B C19B C20B C21B 171.3(5) . . . .
C18B C19B C20B C21B -4.0(8) . . . .
O3B C19B C20B Si2B -11.6(7) . . . .
C18B C19B C20B Si2B 173.1(4) . . . .
C26B Si2B C20B C21B -107.1(5) . . . .
C25B Si2B C20B C21B 20.8(6) . . . .
C27B Si2B C20B C21B 134.1(5) . . . .
C26B Si2B C20B C19B 76.1(5) . . . .
C25B Si2B C20B C19B -156.0(5) . . . .
C27B Si2B C20B C19B -42.6(5) . . . .
C19B C20B C21B C2B -155.1(5) . . . .
Si2B C20B C21B C2B 28.2(8) . . . .
C19B C20B C21B C16B 19.4(8) . . . .
Si2B C20B C21B C16B -157.3(5) . . . .
C1B C2B C21B C20B -151.4(5) . . . .
C3B C2B C21B C20B 36.0(9) . . . .
C1B C2B C21B C16B 33.6(7) . . . .
C3B C2B C21B C16B -139.1(6) . . . .
C17B C16B C21B C20B 5.5(9) . . . .
C15C C16B C21B C20B 174.5(5) . . . .
C15B C16B C21B C20B 127.9(6) . . . .
C17B C16B C21B C2B -179.5(6) . . . .
C15C C16B C21B C2B -10.5(7) . . . .
C15B C16B C21B C2B -57.0(6) . . . .
