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#$Date: 2022-01-26 14:50:01 +0200 (Wed, 26 Jan 2022) $
#$Revision: 272250 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/56/61/1566138.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_1566138
loop_
_publ_author_name
'Forensi, Silvia'
'Stopin, Antoine'
'de Leo, Federica'
'Wouters, Johan'
'Bonifazi, Davide'
_publ_section_title
;
 1,8,10-Trisubstituted anthracenyl hydrocarbons: Towards versatile
 scaffolds for multiple-H-bonded recognition arrays
;
_journal_issue                   51
_journal_name_full               Tetrahedron
_journal_page_first              131299
_journal_paper_doi               10.1016/j.tet.2020.131299
_journal_volume                  76
_journal_year                    2020
_chemical_formula_moiety         '2(C25 H32 B2 O4 Si), C5 H10 O3'
_chemical_formula_sum            'C55 H74 B4 O11 Si2'
_chemical_formula_weight         1010.56
_space_group_IT_number           15
_space_group_name_Hall           '-C 2yc'
_space_group_name_H-M_alt        'C 1 2/c 1'
_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-97
_cell_angle_alpha                90.00
_cell_angle_beta                 101.293(9)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   36.788(3)
_cell_length_b                   9.3260(10)
_cell_length_c                   17.1020(10)
_cell_measurement_reflns_used    3433
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      62.3490
_cell_measurement_theta_min      4.8940
_cell_volume                     5753.8(9)
_computing_cell_refinement
;
CrysAlisPro, Agilent Technologies,
Version 1.171.37.31 (release 14-01-2014 CrysAlis171 .NET)
(compiled Jan 14 2014,18:38:05)
;
_computing_data_collection
;
CrysAlisPro, Agilent Technologies,
Version 1.171.37.31 (release 14-01-2014 CrysAlis171 .NET)
(compiled Jan 14 2014,18:38:05)
;
_computing_data_reduction
;
CrysAlisPro, Agilent Technologies,
Version 1.171.37.31 (release 14-01-2014 CrysAlis171 .NET)
(compiled Jan 14 2014,18:38:05)
;
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    SIR2004
_diffrn_ambient_temperature      293(2)
_diffrn_detector                 'CCD plate'
_diffrn_detector_area_resol_mean 5.1856
_diffrn_detector_type            Ruby
_diffrn_measured_fraction_theta_full 0.971
_diffrn_measured_fraction_theta_max 0.971
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'Xcalibur, Ruby, Gemini ultra'
_diffrn_measurement_method       'ω scans'
_diffrn_radiation_monochromator  mirror
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           'Cu K\a'
_diffrn_radiation_wavelength     1.54184
_diffrn_reflns_av_R_equivalents  0.0189
_diffrn_reflns_av_sigmaI/netI    0.0273
_diffrn_reflns_limit_h_max       29
_diffrn_reflns_limit_h_min       -41
_diffrn_reflns_limit_k_max       5
_diffrn_reflns_limit_k_min       -10
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_number            8540
_diffrn_reflns_theta_full        62.61
_diffrn_reflns_theta_max         62.61
_diffrn_reflns_theta_min         2.45
_diffrn_source_type              'Enhance Ultra (Cu) X-ray Source'
_exptl_absorpt_coefficient_mu    1.004
_exptl_absorpt_correction_T_max  0.9609
_exptl_absorpt_correction_T_min  0.7265
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
CrysAlisPro, Agilent Technologies,
Version 1.171.37.31 (release 14-01-2014 CrysAlis171 .NET)
(compiled Jan 14 2014,18:38:05)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.167
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             2160
_exptl_crystal_size_max          0.34
_exptl_crystal_size_mid          0.18
_exptl_crystal_size_min          0.04
_refine_diff_density_max         0.365
_refine_diff_density_min         -0.439
_refine_diff_density_rms         0.057
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.030
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     333
_refine_ls_number_reflns         4476
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.030
_refine_ls_R_factor_all          0.0984
_refine_ls_R_factor_gt           0.0805
_refine_ls_shift/su_max          0.020
_refine_ls_shift/su_mean         0.001
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.1526P)²+5.2760P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2419
_refine_ls_wR_factor_ref         0.2665
_reflns_number_gt                3308
_reflns_number_total             4476
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            Tetrahedron-2020-76-131299.cif
_cod_data_source_block           2
_cod_original_cell_volume        5753.8(8)
_cod_original_sg_symbol_H-M      'C 2/c'
_cod_database_code               1566138
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_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
C1 C 0.05447(11) 0.2465(3) 0.8299(2) 0.0707(9) Uani 1 1 d . . .
C2 C 0.06098(13) 0.1341(4) 0.7827(2) 0.0873(12) Uani 1 1 d . . .
H2 H 0.0478 0.0494 0.7838 0.105 Uiso 1 1 calc R . .
C3 C 0.08709(14) 0.1433(4) 0.7326(3) 0.0952(13) Uani 1 1 d . . .
H3 H 0.0910 0.0646 0.7019 0.114 Uiso 1 1 calc R . .
C4 C 0.10646(12) 0.2644(4) 0.7287(2) 0.0852(11) Uani 1 1 d . . .
H4 H 0.1231 0.2695 0.6943 0.102 Uiso 1 1 calc R . .
C5 C 0.10159(10) 0.3846(3) 0.7766(2) 0.0698(9) Uani 1 1 d . . .
C6 C 0.12168(10) 0.5131(4) 0.7737(2) 0.0734(9) Uani 1 1 d . . .
C7 C 0.11703(10) 0.6313(4) 0.8223(2) 0.0710(9) Uani 1 1 d . . .
C8 C 0.13590(11) 0.7627(4) 0.8184(2) 0.0863(11) Uani 1 1 d . . .
H8 H 0.1524 0.7710 0.7838 0.104 Uiso 1 1 calc R . .
C9 C 0.13045(12) 0.8756(4) 0.8636(3) 0.0956(13) Uani 1 1 d . . .
H9 H 0.1436 0.9601 0.8608 0.115 Uiso 1 1 calc R . .
C10 C 0.10491(11) 0.8665(4) 0.9152(2) 0.0845(11) Uani 1 1 d . . .
H10 H 0.1009 0.9471 0.9443 0.101 Uiso 1 1 calc R . .
C11 C 0.08599(9) 0.7439(3) 0.9238(2) 0.0677(9) Uani 1 1 d . . .
C12 C 0.09137(9) 0.6209(3) 0.87560(19) 0.0637(8) Uani 1 1 d . . .
C13 C 0.07217(9) 0.4925(3) 0.87749(18) 0.0644(8) Uani 1 1 d . . .
H13 H 0.0561 0.4842 0.9131 0.077 Uiso 1 1 calc R . .
C14 C 0.07583(10) 0.3759(3) 0.82848(18) 0.0650(8) Uani 1 1 d . . .
C15 C 0.14702(11) 0.5266(4) 0.7200(2) 0.0824(11) Uani 1 1 d . . .
C16 C 0.16740(12) 0.5397(4) 0.6737(3) 0.0882(11) Uani 1 1 d . . .
C17 C 0.1806(2) 0.7422(6) 0.5480(4) 0.148(2) Uani 1 1 d . . .
H17 H 0.1986 0.7678 0.5152 0.178 Uiso 1 1 calc R . .
C18 C 0.2455(2) 0.5905(15) 0.6608(6) 0.243(6) Uani 1 1 d . . .
H18 H 0.2506 0.4885 0.6716 0.291 Uiso 1 1 calc R . .
C19 C 0.1925(2) 0.4206(7) 0.5303(4) 0.149(3) Uani 1 1 d . . .
H19 H 0.1671 0.4339 0.5003 0.179 Uiso 1 1 calc R . .
C20 C 0.1444(3) 0.7208(10) 0.4939(6) 0.250(6) Uani 1 1 d . . .
H20A H 0.1248 0.7429 0.5216 0.375 Uiso 1 1 calc R . .
H20B H 0.1422 0.6228 0.4764 0.375 Uiso 1 1 calc R . .
H20C H 0.1427 0.7827 0.4485 0.375 Uiso 1 1 calc R . .
C21 C 0.1785(3) 0.8681(8) 0.6051(6) 0.243(5) Uani 1 1 d . . .
H21A H 0.1723 0.9544 0.5748 0.365 Uiso 1 1 calc R . .
H21B H 0.2020 0.8796 0.6405 0.365 Uiso 1 1 calc R . .
H21C H 0.1597 0.8488 0.6357 0.365 Uiso 1 1 calc R . .
C22 C 0.2491(3) 0.6393(17) 0.7392(8) 0.323(9) Uani 1 1 d . . .
H22A H 0.2708 0.5976 0.7716 0.484 Uiso 1 1 calc R . .
H22B H 0.2276 0.6118 0.7596 0.484 Uiso 1 1 calc R . .
H22C H 0.2514 0.7418 0.7402 0.484 Uiso 1 1 calc R . .
C23 C 0.2739(2) 0.6218(18) 0.6297(7) 0.320(9) Uani 1 1 d . . .
H23A H 0.2760 0.7241 0.6263 0.479 Uiso 1 1 calc R . .
H23B H 0.2707 0.5810 0.5773 0.479 Uiso 1 1 calc R . .
H23C H 0.2959 0.5837 0.6625 0.479 Uiso 1 1 calc R . .
C24 C 0.2145(2) 0.4393(8) 0.4644(4) 0.165(3) Uani 1 1 d . . .
H24A H 0.2402 0.4539 0.4877 0.247 Uiso 1 1 calc R . .
H24B H 0.2053 0.5209 0.4324 0.247 Uiso 1 1 calc R . .
H24C H 0.2120 0.3549 0.4316 0.247 Uiso 1 1 calc R . .
C25 C 0.1903(2) 0.2802(7) 0.5594(4) 0.172(3) Uani 1 1 d . . .
H25A H 0.1890 0.2130 0.5164 0.258 Uiso 1 1 calc R . .
H25B H 0.1685 0.2713 0.5822 0.258 Uiso 1 1 calc R . .
H25C H 0.2119 0.2607 0.5995 0.258 Uiso 1 1 calc R . .
B1 B 0.02123(12) 0.2357(4) 0.8753(2) 0.0685(10) Uani 1 1 d . . .
B2 B 0.05980(11) 0.7436(4) 0.9867(2) 0.0664(9) Uani 1 1 d . . .
O1 O 0.04210(7) 0.8666(2) 1.00234(15) 0.0856(8) Uani 1 1 d . . .
H1O H 0.0482 0.9329 0.9762 0.103 Uiso 1 1 calc R . .
O2 O 0.05495(8) 0.6260(2) 1.02738(15) 0.0874(8) Uani 1 1 d . . .
H2O H 0.0421 0.6450 1.0601 0.105 Uiso 1 1 calc R . .
O3 O 0.01755(8) 0.1188(2) 0.92011(16) 0.0880(8) Uani 1 1 d . . .
H3O H -0.0031 0.1186 0.9313 0.106 Uiso 1 1 calc R . .
O4 O -0.00503(7) 0.3386(2) 0.87081(13) 0.0735(7) Uani 1 1 d . . .
H4O H -0.0021 0.3984 0.8374 0.088 Uiso 1 1 calc R . .
C26 C -0.0567(4) 0.7865(14) 0.8776(9) 0.349(9) Uani 1 1 d . . .
H26A H -0.0420 0.8555 0.9116 0.524 Uiso 1 1 calc R . .
H27C H -0.0710 0.7312 0.9080 0.524 Uiso 1 1 calc R . .
H26B H -0.0731 0.8354 0.8353 0.524 Uiso 1 1 calc R . .
C28 C 0.0000 0.6676(7) 0.7500 0.0983(19) Uani 1 2 d S . .
O5 O 0.0000 0.5421(4) 0.7500 0.0860(11) Uani 1 2 d S . .
O6 O -0.01484(19) 0.7561(5) 0.7937(3) 0.170(2) Uani 1 1 d . . .
Si1 Si 0.19656(3) 0.57574(13) 0.60119(7) 0.0903(5) Uani 1 1 d . . .
C27 C -0.0316(3) 0.6881(11) 0.8426(6) 0.197(4) Uani 1 1 d . . .
H27A H -0.0132 0.6470 0.8852 0.237 Uiso 1 1 calc R . .
H27B H -0.0460 0.6103 0.8145 0.237 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 0.0181 0.0091 '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'
B B 0.0090 0.0039 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0492 0.0322 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Si Si 0.2541 0.3302 '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
C2 C1 C14 118.1(3) . .
C2 C1 B1 118.9(3) . .
C14 C1 B1 122.7(3) . .
C1 C2 C3 122.0(3) . .
C1 C2 H2 119.0 . .
C3 C2 H2 119.0 . .
C4 C3 C2 120.9(3) . .
C4 C3 H3 119.6 . .
C2 C3 H3 119.6 . .
C3 C4 C5 120.4(3) . .
C3 C4 H4 119.8 . .
C5 C4 H4 119.8 . .
C6 C5 C4 121.6(3) . .
C6 C5 C14 119.1(3) . .
C4 C5 C14 119.3(3) . .
C7 C6 C5 121.2(3) . .
C7 C6 C15 118.5(3) . .
C5 C6 C15 120.3(3) . .
C6 C7 C8 122.1(3) . .
C6 C7 C12 119.4(3) . .
C8 C7 C12 118.5(3) . .
C9 C8 C7 121.4(3) . .
C9 C8 H8 119.3 . .
C7 C8 H8 119.3 . .
C8 C9 C10 120.3(3) . .
C8 C9 H9 119.8 . .
C10 C9 H9 119.8 . .
C11 C10 C9 122.4(3) . .
C11 C10 H10 118.8 . .
C9 C10 H10 118.8 . .
C10 C11 C12 118.3(3) . .
C10 C11 B2 118.0(3) . .
C12 C11 B2 123.8(3) . .
C13 C12 C7 118.1(3) . .
C13 C12 C11 122.7(3) . .
C7 C12 C11 119.1(3) . .
C12 C13 C14 123.1(3) . .
C12 C13 H13 118.4 . .
C14 C13 H13 118.4 . .
C13 C14 C5 119.0(3) . .
C13 C14 C1 121.7(3) . .
C5 C14 C1 119.4(3) . .
C16 C15 C6 178.2(5) . .
C15 C16 Si1 174.8(4) . .
C20 C17 C21 110.4(8) . .
C20 C17 Si1 110.9(5) . .
C21 C17 Si1 112.5(5) . .
C20 C17 H17 107.6 . .
C21 C17 H17 107.6 . .
Si1 C17 H17 107.6 . .
C23 C18 C22 112.9(10) . .
C23 C18 Si1 123.6(9) . .
C22 C18 Si1 116.2(7) . .
C23 C18 H18 99.0 . .
C22 C18 H18 99.0 . .
Si1 C18 H18 99.0 . .
C25 C19 C24 116.3(5) . .
C25 C19 Si1 119.4(5) . .
C24 C19 Si1 113.8(5) . .
C25 C19 H19 100.9 . .
C24 C19 H19 100.9 . .
Si1 C19 H19 100.9 . .
C17 C20 H20A 109.5 . .
C17 C20 H20B 109.5 . .
H20A C20 H20B 109.5 . .
C17 C20 H20C 109.5 . .
H20A C20 H20C 109.5 . .
H20B C20 H20C 109.5 . .
C17 C21 H21A 109.5 . .
C17 C21 H21B 109.5 . .
H21A C21 H21B 109.5 . .
C17 C21 H21C 109.5 . .
H21A C21 H21C 109.5 . .
H21B C21 H21C 109.5 . .
C18 C22 H22A 109.5 . .
C18 C22 H22B 109.5 . .
H22A C22 H22B 109.5 . .
C18 C22 H22C 109.5 . .
H22A C22 H22C 109.5 . .
H22B C22 H22C 109.5 . .
C18 C23 H23A 109.5 . .
C18 C23 H23B 109.5 . .
H23A C23 H23B 109.5 . .
C18 C23 H23C 109.5 . .
H23A C23 H23C 109.5 . .
H23B C23 H23C 109.5 . .
C19 C24 H24A 109.5 . .
C19 C24 H24B 109.5 . .
H24A C24 H24B 109.5 . .
C19 C24 H24C 109.5 . .
H24A C24 H24C 109.5 . .
H24B C24 H24C 109.5 . .
C19 C25 H25A 109.5 . .
C19 C25 H25B 109.5 . .
H25A C25 H25B 109.5 . .
C19 C25 H25C 109.5 . .
H25A C25 H25C 109.5 . .
H25B C25 H25C 109.5 . .
O4 B1 O3 117.0(3) . .
O4 B1 C1 122.8(3) . .
O3 B1 C1 120.2(3) . .
O2 B2 O1 118.1(3) . .
O2 B2 C11 121.4(3) . .
O1 B2 C11 120.5(3) . .
B2 O1 H1O 109.5 . .
B2 O2 H2O 109.5 . .
B1 O3 H3O 109.5 . .
B1 O4 H4O 109.5 . .
C27 C26 H26A 109.5 . .
C27 C26 H27C 109.5 . .
H26A C26 H27C 109.5 . .
C27 C26 H26B 109.5 . .
H26A C26 H26B 109.5 . .
H27C C26 H26B 109.5 . .
O5 C28 O6 129.3(3) . 2_556
O5 C28 O6 129.3(3) . .
O6 C28 O6 101.4(7) 2_556 .
C27 O6 C28 111.4(5) . .
C16 Si1 C17 108.6(3) . .
C16 Si1 C19 108.3(2) . .
C17 Si1 C19 110.8(3) . .
C16 Si1 C18 105.8(3) . .
C17 Si1 C18 112.6(5) . .
C19 Si1 C18 110.6(4) . .
O6 C27 C26 111.3(11) . .
O6 C27 H27A 109.4 . .
C26 C27 H27A 109.4 . .
O6 C27 H27B 109.4 . .
C26 C27 H27B 109.4 . .
H27A C27 H27B 108.0 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
C1 C2 1.372(5) .
C1 C14 1.443(5) .
C1 B1 1.575(5) .
C2 C3 1.409(5) .
C2 H2 0.9300 .
C3 C4 1.344(5) .
C3 H3 0.9300 .
C4 C5 1.420(5) .
C4 H4 0.9300 .
C5 C6 1.413(5) .
C5 C14 1.422(4) .
C6 C7 1.411(5) .
C6 C15 1.438(5) .
C7 C8 1.416(5) .
C7 C12 1.438(4) .
C8 C9 1.344(5) .
C8 H8 0.9300 .
C9 C10 1.412(5) .
C9 H9 0.9300 .
C10 C11 1.361(5) .
C10 H10 0.9300 .
C11 C12 1.449(4) .
C11 B2 1.579(5) .
C12 C13 1.393(4) .
C13 C14 1.396(4) .
C13 H13 0.9300 .
C15 C16 1.198(5) .
C16 Si1 1.823(4) .
C17 C20 1.478(10) .
C17 C21 1.539(9) .
C17 Si1 1.837(6) .
C17 H17 0.9800 .
C18 C23 1.293(11) .
C18 C22 1.397(12) .
C18 Si1 1.893(8) .
C18 H18 0.9800 .
C19 C25 1.409(8) .
C19 C24 1.522(7) .
C19 Si1 1.875(6) .
C19 H19 0.9800 .
C20 H20A 0.9600 .
C20 H20B 0.9600 .
C20 H20C 0.9600 .
C21 H21A 0.9600 .
C21 H21B 0.9600 .
C21 H21C 0.9600 .
C22 H22A 0.9600 .
C22 H22B 0.9600 .
C22 H22C 0.9600 .
C23 H23A 0.9600 .
C23 H23B 0.9600 .
C23 H23C 0.9600 .
C24 H24A 0.9600 .
C24 H24B 0.9600 .
C24 H24C 0.9600 .
C25 H25A 0.9600 .
C25 H25B 0.9600 .
C25 H25C 0.9600 .
B1 O4 1.353(5) .
B1 O3 1.354(4) .
B2 O2 1.329(4) .
B2 O1 1.371(4) .
O1 H1O 0.8200 .
O2 H2O 0.8200 .
O3 H3O 0.8200 .
O4 H4O 0.8200 .
C26 C27 1.507(13) .
C26 H26A 0.9600 .
C26 H27C 0.9600 .
C26 H26B 0.9600 .
C28 O5 1.170(7) .
C28 O6 1.303(6) 2_556
C28 O6 1.303(6) .
O6 C27 1.296(10) .
C27 H27A 0.9700 .
C27 H27B 0.9700 .
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
C14 C1 C2 C3 -1.2(6) . . . .
B1 C1 C2 C3 171.8(4) . . . .
C1 C2 C3 C4 -0.7(7) . . . .
C2 C3 C4 C5 1.6(7) . . . .
C3 C4 C5 C6 179.8(4) . . . .
C3 C4 C5 C14 -0.4(6) . . . .
C4 C5 C6 C7 -179.1(3) . . . .
C14 C5 C6 C7 1.1(5) . . . .
C4 C5 C6 C15 1.8(6) . . . .
C14 C5 C6 C15 -178.0(3) . . . .
C5 C6 C7 C8 -177.7(4) . . . .
C15 C6 C7 C8 1.3(6) . . . .
C5 C6 C7 C12 -0.1(6) . . . .
C15 C6 C7 C12 179.0(3) . . . .
C6 C7 C8 C9 178.2(4) . . . .
C12 C7 C8 C9 0.5(6) . . . .
C7 C8 C9 C10 -1.4(7) . . . .
C8 C9 C10 C11 2.5(7) . . . .
C9 C10 C11 C12 -2.5(6) . . . .
C9 C10 C11 B2 176.7(4) . . . .
C6 C7 C12 C13 0.5(5) . . . .
C8 C7 C12 C13 178.3(3) . . . .
C6 C7 C12 C11 -178.4(3) . . . .
C8 C7 C12 C11 -0.6(5) . . . .
C10 C11 C12 C13 -177.2(3) . . . .
B2 C11 C12 C13 3.6(5) . . . .
C10 C11 C12 C7 1.6(5) . . . .
B2 C11 C12 C7 -177.6(3) . . . .
C7 C12 C13 C14 -2.1(5) . . . .
C11 C12 C13 C14 176.8(3) . . . .
C12 C13 C14 C5 3.1(5) . . . .
C12 C13 C14 C1 -177.7(3) . . . .
C6 C5 C14 C13 -2.5(5) . . . .
C4 C5 C14 C13 177.7(3) . . . .
C6 C5 C14 C1 178.2(3) . . . .
C4 C5 C14 C1 -1.6(5) . . . .
C2 C1 C14 C13 -176.9(3) . . . .
B1 C1 C14 C13 10.3(5) . . . .
C2 C1 C14 C5 2.4(5) . . . .
B1 C1 C14 C5 -170.4(3) . . . .
C7 C6 C15 C16 -81(15) . . . .
C2 C1 B1 O4 -127.8(4) . . . .
C14 C1 B1 O4 44.9(5) . . . .
C2 C1 B1 O3 50.9(5) . . . .
C14 C1 B1 O3 -136.3(3) . . . .
C10 C11 B2 O2 -146.6(4) . . . .
C12 C11 B2 O2 32.6(5) . . . .
C10 C11 B2 O1 31.7(5) . . . .
C12 C11 B2 O1 -149.1(3) . . . .
O5 C28 O6 C27 -0.2(9) . . . .
O6 C28 O6 C27 179.8(9) 2_556 . . .
C20 C17 Si1 C16 -70.9(7) . . . .
C21 C17 Si1 C16 53.4(7) . . . .
C20 C17 Si1 C19 47.9(7) . . . .
C21 C17 Si1 C19 172.2(6) . . . .
C20 C17 Si1 C18 172.4(6) . . . .
C21 C17 Si1 C18 -63.3(8) . . . .
C25 C19 Si1 C16 -38.4(8) . . . .
C24 C19 Si1 C16 178.0(5) . . . .
C25 C19 Si1 C17 -157.4(7) . . . .
C24 C19 Si1 C17 59.0(7) . . . .
C25 C19 Si1 C18 77.1(8) . . . .
C24 C19 Si1 C18 -66.5(7) . . . .
C23 C18 Si1 C16 -177.0(13) . . . .
C22 C18 Si1 C16 -29.0(13) . . . .
C23 C18 Si1 C17 -58.5(14) . . . .
C22 C18 Si1 C17 89.4(12) . . . .
C23 C18 Si1 C19 66.0(15) . . . .
C22 C18 Si1 C19 -146.1(11) . . . .
C28 O6 C27 C26 -165.4(7) . . . .
