#------------------------------------------------------------------------------
#$Date: 2019-07-17 09:10:09 +0200 (Wed 17 de Jul de 2019) $
#$Revision: 217109 $
#$URL: svn://www.crystallography.net/cod/cif/7/23/31/7233177.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_7233177
loop_
_publ_author_name
'Bilal R. Kaafarani'
'Ala'a O. El-Ballouli'
'Roman Trattnig'
'Alexandr Fonari'
'Stefan Sax'
'Brigitte Wex'
'Chad Risko'
'Rony S. Khnayzer'
'Stephen Barlow'
'Digambara Patra'
'Tatiana V. Timofeeva'
'Emil J. W. List'
'Jean-Luc Bredase'
'Seth R. Mardere'
_publ_section_title
;
 Bis(carbazolyl) derivatives of pyrene and tetrahydropyrene: synthesis,
 structures, optical properties, electrochemistry, and electroluminescence
;
_journal_name_full               'Journal of Materials Chemistry C'
_journal_page_first              1638
_journal_page_last               1650
_journal_paper_doi               10.1039/C2TC00474G
_journal_volume                  1
_journal_year                    2013
_chemical_formula_moiety         'C56 H56 N2'
_chemical_formula_sum            'C56 H56 N2'
_chemical_formula_weight         757.03
_space_group_IT_number           14
_space_group_name_Hall           '-P 2ybc'
_space_group_name_H-M_alt        'P 1 21/c 1'
_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                 100.023(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   17.743(2)
_cell_length_b                   10.9925(13)
_cell_length_c                   11.3555(14)
_cell_measurement_reflns_used    4200
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      30.73
_cell_measurement_theta_min      2.19
_cell_volume                     2181.0(4)
_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      100(2)
_diffrn_measured_fraction_theta_full 0.992
_diffrn_measured_fraction_theta_max 0.992
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.1055
_diffrn_reflns_av_sigmaI/netI    0.0903
_diffrn_reflns_limit_h_max       25
_diffrn_reflns_limit_h_min       -25
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_number            33652
_diffrn_reflns_theta_full        30.89
_diffrn_reflns_theta_max         30.89
_diffrn_reflns_theta_min         2.19
_exptl_absorpt_coefficient_mu    0.066
_exptl_absorpt_correction_T_max  0.7461
_exptl_absorpt_correction_T_min  0.5754
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS (Sheldrick, 2003)'
_exptl_crystal_colour            white
_exptl_crystal_density_diffrn    1.153
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    none
_exptl_crystal_description       plate
_exptl_crystal_F_000             812
_exptl_crystal_size_max          0.15
_exptl_crystal_size_mid          0.09
_exptl_crystal_size_min          0.08
_refine_diff_density_max         0.336
_refine_diff_density_min         -0.426
_refine_diff_density_rms         0.057
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.009
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     262
_refine_ls_number_reflns         6832
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.009
_refine_ls_R_factor_all          0.1318
_refine_ls_R_factor_gt           0.0643
_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)+(0.0748P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1320
_refine_ls_wR_factor_ref         0.1566
_reflns_number_gt                4004
_reflns_number_total             6832
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            1000004.cif
_cod_data_source_block           PCOD1000004
_cod_depositor_comments
;
The following automatic conversions were performed:

data item '_symmetry_cell_setting' value 'Monoclinic' was changed to
'monoclinic' in accordance with the built-in table derived from the
CIF Core dictionary named 'cif_core.dic' version 2.4.5 last updated
on 2014-11-21.

data item '_exptl_crystal_density_meas' value 'not measured' was
changed to '?' -- the value is perceived as not measured.

Automatic conversion script
Id: cif_fix_values 6909 2019-04-08 15:41:33Z antanas 
;
_cod_original_cell_volume        2181.0(5)
_cod_original_sg_symbol_Hall     '-P 2ybc '
_cod_original_sg_symbol_H-M      'P 21/c '
_cod_database_code               7233177
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
N1 N 0.29673(8) 0.78421(11) 0.32376(12) 0.0217(3) Uani 1 1 d . . .
C1 C 0.29013(9) 0.90564(14) 0.35647(15) 0.0206(3) Uani 1 1 d . . .
C2 C 0.33665(10) 0.97238(14) 0.44529(15) 0.0232(4) Uani 1 1 d . . .
H2A H 0.3770 0.9351 0.4991 0.028 Uiso 1 1 calc R . .
C3 C 0.32121(10) 1.09569(15) 0.45149(15) 0.0244(4) Uani 1 1 d . . .
H3A H 0.3525 1.1430 0.5108 0.029 Uiso 1 1 calc R . .
C4 C 0.26151(10) 1.15422(14) 0.37428(15) 0.0214(3) Uani 1 1 d . . .
C5 C 0.21507(9) 1.08423(14) 0.28931(15) 0.0204(3) Uani 1 1 d . . .
H5A H 0.1732 1.1209 0.2381 0.024 Uiso 1 1 calc R . .
C6 C 0.22958(9) 0.95956(14) 0.27855(14) 0.0195(3) Uani 1 1 d . . .
C7 C 0.19703(9) 0.86676(13) 0.19413(14) 0.0191(3) Uani 1 1 d . . .
C8 C 0.13594(9) 0.86334(14) 0.09896(14) 0.0214(3) Uani 1 1 d . . .
H8A H 0.1063 0.9346 0.0784 0.026 Uiso 1 1 calc R . .
C9 C 0.11747(9) 0.75689(14) 0.03315(15) 0.0216(3) Uani 1 1 d . . .
C10 C 0.16430(10) 0.65373(14) 0.06383(15) 0.0231(4) Uani 1 1 d . . .
H10A H 0.1534 0.5815 0.0181 0.028 Uiso 1 1 calc R . .
C11 C 0.22558(10) 0.65386(14) 0.15819(15) 0.0225(4) Uani 1 1 d . . .
H11A H 0.2562 0.5833 0.1773 0.027 Uiso 1 1 calc R . .
C12 C 0.24082(9) 0.76068(14) 0.22413(15) 0.0206(3) Uani 1 1 d . . .
C13 C 0.35600(9) 0.70276(14) 0.37569(15) 0.0211(3) Uani 1 1 d . . .
C14 C 0.35588(10) 0.65729(14) 0.48886(15) 0.0222(4) Uani 1 1 d . . .
H14A H 0.3167 0.6805 0.5316 0.027 Uiso 1 1 calc R . .
C15 C 0.41341(9) 0.57692(14) 0.54096(15) 0.0204(3) Uani 1 1 d . . .
C16 C 0.47108(9) 0.54194(13) 0.47501(14) 0.0196(3) Uani 1 1 d . . .
C17 C 0.47037(9) 0.58983(14) 0.35828(15) 0.0217(3) Uani 1 1 d . . .
C18 C 0.41227(10) 0.67035(14) 0.31047(15) 0.0224(4) Uani 1 1 d . . .
H18A H 0.4112 0.7032 0.2328 0.027 Uiso 1 1 calc R . .
C19 C 0.41469(10) 0.52467(15) 0.65730(15) 0.0254(4) Uani 1 1 d . . .
H19A H 0.3759 0.5463 0.7016 0.031 Uiso 1 1 calc R . .
C20 C 0.53022(10) 0.55440(16) 0.29517(16) 0.0273(4) Uani 1 1 d . . .
H20A H 0.5311 0.5874 0.2181 0.033 Uiso 1 1 calc R . .
C21 C 0.25428(10) 1.29320(14) 0.38020(15) 0.0236(4) Uani 1 1 d . . .
C22 C 0.18190(11) 1.34048(15) 0.29968(17) 0.0295(4) Uani 1 1 d . . .
H22A H 0.1367 1.3054 0.3254 0.044 Uiso 1 1 calc R . .
H22B H 0.1827 1.3170 0.2167 0.044 Uiso 1 1 calc R . .
H22C H 0.1800 1.4293 0.3054 0.044 Uiso 1 1 calc R . .
C23 C 0.25170(12) 1.33409(16) 0.50821(16) 0.0317(4) Uani 1 1 d . . .
H23A H 0.2070 1.2982 0.5347 0.048 Uiso 1 1 calc R . .
H23B H 0.2482 1.4230 0.5107 0.048 Uiso 1 1 calc R . .
H23C H 0.2984 1.3073 0.5612 0.048 Uiso 1 1 calc R . .
C24 C 0.32473(11) 1.34962(15) 0.33794(17) 0.0289(4) Uani 1 1 d . . .
H24A H 0.3215 1.4385 0.3410 0.043 Uiso 1 1 calc R . .
H24B H 0.3260 1.3238 0.2557 0.043 Uiso 1 1 calc R . .
H24C H 0.3715 1.3223 0.3904 0.043 Uiso 1 1 calc R . .
C25 C 0.04681(10) 0.75352(15) -0.06620(15) 0.0236(4) Uani 1 1 d . . .
C26 C 0.05333(11) 0.85132(16) -0.16034(16) 0.0314(4) Uani 1 1 d . . .
H26A H 0.0987 0.8354 -0.1964 0.047 Uiso 1 1 calc R . .
H26B H 0.0580 0.9316 -0.1222 0.047 Uiso 1 1 calc R . .
H26C H 0.0075 0.8494 -0.2225 0.047 Uiso 1 1 calc R . .
C27 C -0.02445(10) 0.77922(17) -0.01027(17) 0.0316(4) Uani 1 1 d . . .
H27A H -0.0701 0.7773 -0.0727 0.047 Uiso 1 1 calc R . .
H27B H -0.0197 0.8596 0.0276 0.047 Uiso 1 1 calc R . .
H27C H -0.0289 0.7171 0.0500 0.047 Uiso 1 1 calc R . .
C28 C 0.03577(11) 0.62970(15) -0.12895(16) 0.0285(4) Uani 1 1 d . . .
H28A H 0.0806 0.6113 -0.1655 0.043 Uiso 1 1 calc R . .
H28B H -0.0101 0.6321 -0.1911 0.043 Uiso 1 1 calc R . .
H28C H 0.0298 0.5666 -0.0704 0.043 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'
N N 0.0061 0.0033 '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
C12 N1 C1 108.24(13) . .
C12 N1 C13 126.03(13) . .
C1 N1 C13 125.40(14) . .
C2 C1 N1 128.96(15) . .
C2 C1 C6 121.79(14) . .
N1 C1 C6 109.11(14) . .
C3 C2 C1 116.96(15) . .
C3 C2 H2A 121.5 . .
C1 C2 H2A 121.5 . .
C2 C3 C4 123.29(16) . .
C2 C3 H3A 118.4 . .
C4 C3 H3A 118.4 . .
C5 C4 C3 118.11(14) . .
C5 C4 C21 122.55(15) . .
C3 C4 C21 119.15(15) . .
C4 C5 C6 120.40(15) . .
C4 C5 H5A 119.8 . .
C6 C5 H5A 119.8 . .
C1 C6 C5 119.40(15) . .
C1 C6 C7 107.09(13) . .
C5 C6 C7 133.37(15) . .
C8 C7 C12 119.17(14) . .
C8 C7 C6 134.39(14) . .
C12 C7 C6 106.44(14) . .
C7 C8 C9 121.12(14) . .
C7 C8 H8A 119.4 . .
C9 C8 H8A 119.4 . .
C8 C9 C10 117.86(15) . .
C8 C9 C25 119.96(14) . .
C10 C9 C25 122.15(14) . .
C11 C10 C9 122.53(15) . .
C11 C10 H10A 118.7 . .
C9 C10 H10A 118.7 . .
C10 C11 C12 117.94(14) . .
C10 C11 H11A 121.0 . .
C12 C11 H11A 121.0 . .
N1 C12 C11 129.57(14) . .
N1 C12 C7 109.10(13) . .
C11 C12 C7 121.33(15) . .
C14 C13 C18 121.44(15) . .
C14 C13 N1 119.44(15) . .
C18 C13 N1 119.12(15) . .
C13 C14 C15 120.20(15) . .
C13 C14 H14A 119.9 . .
C15 C14 H14A 119.9 . .
C14 C15 C16 119.10(15) . .
C14 C15 C19 122.29(15) . .
C16 C15 C19 118.57(14) . .
C16 C16 C15 120.04(19) 3_666 .
C16 C16 C17 119.99(19) 3_666 .
C15 C16 C17 119.96(14) . .
C18 C17 C16 118.88(15) . .
C18 C17 C20 122.61(15) . .
C16 C17 C20 118.50(15) . .
C13 C18 C17 120.41(15) . .
C13 C18 H18A 119.8 . .
C17 C18 H18A 119.8 . .
C20 C19 C15 121.32(16) 3_666 .
C20 C19 H19A 119.3 3_666 .
C15 C19 H19A 119.3 . .
C19 C20 C17 121.54(16) 3_666 .
C19 C20 H20A 119.2 3_666 .
C17 C20 H20A 119.2 . .
C23 C21 C22 107.88(14) . .
C23 C21 C4 110.52(14) . .
C22 C21 C4 112.28(14) . .
C23 C21 C24 109.69(14) . .
C22 C21 C24 108.55(14) . .
C4 C21 C24 107.90(14) . .
C21 C22 H22A 109.5 . .
C21 C22 H22B 109.5 . .
H22A C22 H22B 109.5 . .
C21 C22 H22C 109.5 . .
H22A C22 H22C 109.5 . .
H22B C22 H22C 109.5 . .
C21 C23 H23A 109.5 . .
C21 C23 H23B 109.5 . .
H23A C23 H23B 109.5 . .
C21 C23 H23C 109.5 . .
H23A C23 H23C 109.5 . .
H23B C23 H23C 109.5 . .
C21 C24 H24A 109.5 . .
C21 C24 H24B 109.5 . .
H24A C24 H24B 109.5 . .
C21 C24 H24C 109.5 . .
H24A C24 H24C 109.5 . .
H24B C24 H24C 109.5 . .
C28 C25 C9 112.66(14) . .
C28 C25 C26 108.50(14) . .
C9 C25 C26 110.15(14) . .
C28 C25 C27 107.91(14) . .
C9 C25 C27 108.51(14) . .
C26 C25 C27 109.04(15) . .
C25 C26 H26A 109.5 . .
C25 C26 H26B 109.5 . .
H26A C26 H26B 109.5 . .
C25 C26 H26C 109.5 . .
H26A C26 H26C 109.5 . .
H26B C26 H26C 109.5 . .
C25 C27 H27A 109.5 . .
C25 C27 H27B 109.5 . .
H27A C27 H27B 109.5 . .
C25 C27 H27C 109.5 . .
H27A C27 H27C 109.5 . .
H27B C27 H27C 109.5 . .
C25 C28 H28A 109.5 . .
C25 C28 H28B 109.5 . .
H28A C28 H28B 109.5 . .
C25 C28 H28C 109.5 . .
H28A C28 H28C 109.5 . .
H28B C28 H28C 109.5 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
N1 C12 1.393(2) .
N1 C1 1.3959(19) .
N1 C13 1.428(2) .
C1 C2 1.395(2) .
C1 C6 1.399(2) .
C2 C3 1.387(2) .
C2 H2A 0.9500 .
C3 C4 1.408(2) .
C3 H3A 0.9500 .
C4 C5 1.388(2) .
C4 C21 1.536(2) .
C5 C6 1.404(2) .
C5 H5A 0.9500 .
C6 C7 1.449(2) .
C7 C8 1.392(2) .
C7 C12 1.410(2) .
C8 C9 1.396(2) .
C8 H8A 0.9500 .
C9 C10 1.413(2) .
C9 C25 1.534(2) .
C10 C11 1.387(2) .
C10 H10A 0.9500 .
C11 C12 1.394(2) .
C11 H11A 0.9500 .
C13 C14 1.379(2) .
C13 C18 1.389(2) .
C14 C15 1.401(2) .
C14 H14A 0.9500 .
C15 C16 1.422(2) .
C15 C19 1.437(2) .
C16 C16 1.422(3) 3_666
C16 C17 1.424(2) .
C17 C18 1.395(2) .
C17 C20 1.435(2) .
C18 H18A 0.9500 .
C19 C20 1.349(2) 3_666
C19 H19A 0.9500 .
C20 C19 1.349(2) 3_666
C20 H20A 0.9500 .
C21 C23 1.530(2) .
C21 C22 1.532(2) .
C21 C24 1.545(2) .
C22 H22A 0.9800 .
C22 H22B 0.9800 .
C22 H22C 0.9800 .
C23 H23A 0.9800 .
C23 H23B 0.9800 .
C23 H23C 0.9800 .
C24 H24A 0.9800 .
C24 H24B 0.9800 .
C24 H24C 0.9800 .
C25 C28 1.533(2) .
C25 C26 1.535(2) .
C25 C27 1.537(2) .
C26 H26A 0.9800 .
C26 H26B 0.9800 .
C26 H26C 0.9800 .
C27 H27A 0.9800 .
C27 H27B 0.9800 .
C27 H27C 0.9800 .
C28 H28A 0.9800 .
C28 H28B 0.9800 .
C28 H28C 0.9800 .
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
C12 N1 C1 C2 -175.25(17) . . . .
C13 N1 C1 C2 -1.6(3) . . . .
C12 N1 C1 C6 0.55(18) . . . .
C13 N1 C1 C6 174.24(15) . . . .
N1 C1 C2 C3 174.03(16) . . . .
C6 C1 C2 C3 -1.3(2) . . . .
C1 C2 C3 C4 0.6(3) . . . .
C2 C3 C4 C5 1.2(3) . . . .
C2 C3 C4 C21 -173.86(16) . . . .
C3 C4 C5 C6 -2.4(2) . . . .
C21 C4 C5 C6 172.55(15) . . . .
C2 C1 C6 C5 0.2(2) . . . .
N1 C1 C6 C5 -175.96(14) . . . .
C2 C1 C6 C7 176.46(15) . . . .
N1 C1 C6 C7 0.31(18) . . . .
C4 C5 C6 C1 1.7(2) . . . .
C4 C5 C6 C7 -173.38(17) . . . .
C1 C6 C7 C8 178.26(18) . . . .
C5 C6 C7 C8 -6.2(3) . . . .
C1 C6 C7 C12 -1.03(18) . . . .
C5 C6 C7 C12 174.50(17) . . . .
C12 C7 C8 C9 0.0(2) . . . .
C6 C7 C8 C9 -179.18(17) . . . .
C7 C8 C9 C10 -2.0(2) . . . .
C7 C8 C9 C25 176.17(15) . . . .
C8 C9 C10 C11 2.1(2) . . . .
C25 C9 C10 C11 -176.04(16) . . . .
C9 C10 C11 C12 -0.2(2) . . . .
C1 N1 C12 C11 178.76(17) . . . .
C13 N1 C12 C11 5.1(3) . . . .
C1 N1 C12 C7 -1.22(18) . . . .
C13 N1 C12 C7 -174.86(15) . . . .
C10 C11 C12 N1 178.11(16) . . . .
C10 C11 C12 C7 -1.9(2) . . . .
C8 C7 C12 N1 -178.04(14) . . . .
C6 C7 C12 N1 1.38(18) . . . .
C8 C7 C12 C11 2.0(2) . . . .
C6 C7 C12 C11 -178.60(15) . . . .
C12 N1 C13 C14 -113.78(18) . . . .
C1 N1 C13 C14 73.6(2) . . . .
C12 N1 C13 C18 65.7(2) . . . .
C1 N1 C13 C18 -106.87(19) . . . .
C18 C13 C14 C15 0.3(2) . . . .
N1 C13 C14 C15 179.74(14) . . . .
C13 C14 C15 C16 -0.8(2) . . . .
C13 C14 C15 C19 -178.37(15) . . . .
C14 C15 C16 C16 -178.42(18) . . . 3_666
C19 C15 C16 C16 -0.7(3) . . . 3_666
C14 C15 C16 C17 0.8(2) . . . .
C19 C15 C16 C17 178.50(15) . . . .
C16 C16 C17 C18 178.91(18) 3_666 . . .
C15 C16 C17 C18 -0.3(2) . . . .
C16 C16 C17 C20 -1.9(3) 3_666 . . .
C15 C16 C17 C20 178.84(15) . . . .
C14 C13 C18 C17 0.3(2) . . . .
N1 C13 C18 C17 -179.23(15) . . . .
C16 C17 C18 C13 -0.2(2) . . . .
C20 C17 C18 C13 -179.35(16) . . . .
C14 C15 C19 C20 178.68(17) . . . 3_666
C16 C15 C19 C20 1.1(3) . . . 3_666
C18 C17 C20 C19 -179.25(17) . . . 3_666
C16 C17 C20 C19 1.6(3) . . . 3_666
C5 C4 C21 C23 131.47(17) . . . .
C3 C4 C21 C23 -53.7(2) . . . .
C5 C4 C21 C22 11.0(2) . . . .
C3 C4 C21 C22 -174.17(15) . . . .
C5 C4 C21 C24 -108.61(18) . . . .
C3 C4 C21 C24 66.3(2) . . . .
C8 C9 C25 C28 179.75(15) . . . .
C10 C9 C25 C28 -2.2(2) . . . .
C8 C9 C25 C26 58.5(2) . . . .
C10 C9 C25 C26 -123.46(17) . . . .
C8 C9 C25 C27 -60.8(2) . . . .
C10 C9 C25 C27 117.24(17) . . . .
