#------------------------------------------------------------------------------
#$Date: 2016-03-23 14:51:15 +0200 (Wed, 23 Mar 2016) $
#$Revision: 179309 $
#$URL: svn://www.crystallography.net/cod/cif/4/32/06/4320657.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_4320657
loop_
_publ_author_name
'Mario Sánchez'
'Herbert Höpfl'
'Maria-Eugenia Ochoa'
'Norberto Farfán'
'Rosa Santillan'
'Susana Rojas-Lima'
_publ_contact_author_address
;
Centro de Investigaciones Químicas
Universidad Autónoma del Estado de Morelos
Av. Universidad 1001
C.P. 62210 Cuernavaca
Mexico 
;
_publ_contact_author_email       ' hhopfl@buzon.uaem.mx '
_publ_contact_author_fax         ' +52 73 29 79 98 '
_publ_contact_author_name        'Herbert Höpfl'
_publ_contact_author_phone       ' +52 73 29 79 97 '
_publ_section_title
;
 Preparation of Seven- and Eight-Membered Boron Heterocycles from
 Different Salen Ligands and Arylboronic Acids
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              6405
_journal_page_last               6412
_journal_paper_doi               10.1021/ic010580g
_journal_volume                  40
_journal_year                    2001
_chemical_formula_moiety         C28H20B2F4N2O3
_chemical_formula_sum            'C28 H20 B2 F4 N2 O3'
_chemical_formula_weight         530.08
_chemical_melting_point_gt       300
_chemical_name_systematic
;
 ?
;
_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
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 100.9360(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   9.7350(4)
_cell_length_b                   21.4186(9)
_cell_length_c                   12.1635(5)
_cell_measurement_temperature    293(2)
_cell_volume                     2490.15(18)
_computing_cell_refinement       'Bruker Smart version 5.057c, 1997-1998'
_computing_data_collection       'Smart, version 5.057c, 1997-1998'
_computing_data_reduction        'SAINT, version 6.01, 1999'
_computing_molecular_graphics
'Cameron, Chemical Crystallography Laboratory Oxford, Oxford, 2000'
_computing_publication_material  'SHELXTL-NT, version 5.10, 1999'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 1.000
_diffrn_measurement_device_type  'Bruker SMART 6000'
_diffrn_measurement_method       CCD
_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  0.0396
_diffrn_reflns_av_sigmaI/netI    0.0451
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       26
_diffrn_reflns_limit_k_min       -24
_diffrn_reflns_limit_l_max       13
_diffrn_reflns_limit_l_min       -15
_diffrn_reflns_number            16431
_diffrn_reflns_theta_full        26.01
_diffrn_reflns_theta_max         26.01
_diffrn_reflns_theta_min         1.90
_exptl_absorpt_coefficient_mu    0.111
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.414
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       cube
_exptl_crystal_F_000             1088
_exptl_crystal_size_max          0.35
_exptl_crystal_size_mid          0.31
_exptl_crystal_size_min          0.29
_refine_diff_density_max         0.138
_refine_diff_density_min         -0.177
_refine_diff_density_rms         0.042
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.848
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     352
_refine_ls_number_reflns         4888
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.848
_refine_ls_R_factor_all          0.0790
_refine_ls_R_factor_gt           0.0397
_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)+(0.0511P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0860
_refine_ls_wR_factor_ref         0.0979
_reflns_number_gt                2722
_reflns_number_total             4888
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic010580g_4.cif
_cod_data_source_block           srlh21
_cod_database_code               4320657
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
O1 O 0.23017(11) 0.70265(5) 0.38715(9) 0.0535(3) Uani 1 1 d . . .
O8 O 0.24298(12) 0.81336(5) 0.39162(9) 0.0610(3) Uani 1 1 d . . .
N6 N 0.19793(14) 0.75703(7) 0.56216(11) 0.0530(4) Uani 1 1 d . . .
O16 O 0.24544(12) 0.59650(6) 0.33232(10) 0.0646(4) Uani 1 1 d . . .
N3 N 0.15194(14) 0.62139(7) 0.50479(12) 0.0536(4) Uani 1 1 d . . .
F3 F -0.01445(13) 0.85284(6) 0.48970(11) 0.0992(4) Uani 1 1 d . . .
F2 F 0.83678(11) 0.60786(7) 0.64731(11) 0.1099(5) Uani 1 1 d . . .
C24 C 0.42071(17) 0.63297(8) 0.49614(14) 0.0481(4) Uani 1 1 d . . .
C30 C 0.00411(17) 0.76343(8) 0.38107(14) 0.0489(4) Uani 1 1 d . . .
C9 C 0.34397(17) 0.84485(8) 0.45820(15) 0.0537(5) Uani 1 1 d . . .
F1 F 0.37540(12) 0.53713(5) 0.57805(12) 0.0986(4) Uani 1 1 d . . .
F4 F -0.42539(11) 0.77659(7) 0.26868(12) 0.1104(5) Uani 1 1 d . . .
C17 C 0.1286(2) 0.56453(8) 0.29510(16) 0.0586(5) Uani 1 1 d . . .
C10 C 0.36840(18) 0.83721(8) 0.57463(16) 0.0588(5) Uani 1 1 d . . .
C35 C -0.06988(17) 0.72142(8) 0.30550(14) 0.0555(5) Uani 1 1 d . . .
H35 H -0.0211 0.6889 0.2799 0.067 Uiso 1 1 calc R . .
C15 C 0.42390(18) 0.88753(8) 0.41126(18) 0.0636(5) Uani 1 1 d . . .
H15 H 0.4091 0.8929 0.3341 0.076 Uiso 1 1 calc R . .
C11 C 0.28667(19) 0.79335(9) 0.62216(15) 0.0611(5) Uani 1 1 d . . .
H11 H 0.2980 0.7909 0.6997 0.073 Uiso 1 1 calc R . .
C29 C 0.52431(18) 0.67605(9) 0.48513(15) 0.0592(5) Uani 1 1 d . . .
H29 H 0.4989 0.7119 0.4429 0.071 Uiso 1 1 calc R . .
C25 C 0.46985(19) 0.58185(9) 0.56091(17) 0.0629(5) Uani 1 1 d . . .
B7 B 0.1720(2) 0.75677(9) 0.42719(16) 0.0490(5) Uani 1 1 d . . .
C5 C 0.11736(19) 0.71393(9) 0.61870(15) 0.0621(5) Uani 1 1 d . . .
H5A H 0.0198 0.7158 0.5822 0.075 Uiso 1 1 calc R . .
H5B H 0.1235 0.7274 0.6956 0.075 Uiso 1 1 calc R . .
C31 C -0.0776(2) 0.80949(9) 0.41397(16) 0.0648(5) Uani 1 1 d . . .
C26 C 0.6061(2) 0.57164(10) 0.61319(19) 0.0765(6) Uani 1 1 d . . .
H26 H 0.6326 0.5364 0.6568 0.092 Uiso 1 1 calc R . .
C27 C 0.69967(19) 0.61634(12) 0.59695(17) 0.0724(6) Uani 1 1 d . . .
C19 C 0.04476(18) 0.58701(9) 0.46611(17) 0.0631(5) Uani 1 1 d . . .
H19 H -0.0215 0.5802 0.5107 0.076 Uiso 1 1 calc R . .
C4 C 0.1674(2) 0.64738(9) 0.61801(15) 0.0626(5) Uani 1 1 d . . .
H4A H 0.2652 0.6456 0.6540 0.075 Uiso 1 1 calc R . .
H4B H 0.1149 0.6219 0.6614 0.075 Uiso 1 1 calc R . .
C33 C -0.2840(2) 0.77239(12) 0.30488(19) 0.0750(6) Uani 1 1 d . . .
C34 C -0.2130(2) 0.72550(10) 0.26615(17) 0.0700(6) Uani 1 1 d . . .
H34 H -0.2589 0.6968 0.2146 0.084 Uiso 1 1 calc R . .
C28 C 0.66391(19) 0.66792(11) 0.53436(17) 0.0726(6) Uani 1 1 d . . .
H28 H 0.7310 0.6972 0.5245 0.087 Uiso 1 1 calc R . .
C18 C 0.02383(19) 0.55912(8) 0.35791(18) 0.0617(5) Uani 1 1 d . . .
B2 B 0.2624(2) 0.64160(9) 0.42821(17) 0.0501(5) Uani 1 1 d . . .
C32 C -0.2203(2) 0.81516(11) 0.37906(19) 0.0813(6) Uani 1 1 d . . .
H32 H -0.2704 0.8470 0.4054 0.098 Uiso 1 1 calc R . .
C21 C -0.1099(3) 0.49401(11) 0.2171(3) 0.1054(10) Uani 1 1 d . . .
H21 H -0.1897 0.4707 0.1898 0.126 Uiso 1 1 calc R . .
C12 C 0.4709(2) 0.87330(10) 0.6425(2) 0.0812(7) Uani 1 1 d . . .
H12 H 0.4859 0.8689 0.7200 0.097 Uiso 1 1 calc R . .
C23 C 0.1139(2) 0.53360(9) 0.19262(18) 0.0795(6) Uani 1 1 d . . .
H23 H 0.1831 0.5367 0.1496 0.095 Uiso 1 1 calc R . .
C14 C 0.5254(2) 0.92178(9) 0.4804(2) 0.0812(7) Uani 1 1 d . . .
H14 H 0.5792 0.9501 0.4489 0.097 Uiso 1 1 calc R . .
C20 C -0.0972(2) 0.52380(10) 0.3174(2) 0.0861(7) Uani 1 1 d . . .
H20 H -0.1680 0.5209 0.3589 0.103 Uiso 1 1 calc R . .
C13 C 0.5487(2) 0.91479(11) 0.5954(2) 0.0929(8) Uani 1 1 d . . .
H13 H 0.6174 0.9384 0.6406 0.111 Uiso 1 1 calc R . .
C22 C -0.0043(3) 0.49835(11) 0.1560(2) 0.1027(9) Uani 1 1 d . . .
H22 H -0.0133 0.4770 0.0885 0.123 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'
B B 0.0013 0.0007 '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'
F F 0.0171 0.0103 '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
B2 O1 B7 135.39(14) . . ?
C9 O8 B7 124.14(13) . . ?
C11 N6 C5 118.55(15) . . ?
C11 N6 B7 122.68(15) . . ?
C5 N6 B7 118.77(14) . . ?
C17 O16 B2 123.82(15) . . ?
C19 N3 C4 119.40(16) . . ?
C19 N3 B2 121.67(16) . . ?
C4 N3 B2 118.70(14) . . ?
C25 C24 C29 113.69(16) . . ?
C25 C24 B2 125.21(16) . . ?
C29 C24 B2 120.88(15) . . ?
C31 C30 C35 113.74(16) . . ?
C31 C30 B7 124.10(16) . . ?
C35 C30 B7 122.14(15) . . ?
O8 C9 C15 119.26(17) . . ?
O8 C9 C10 121.31(17) . . ?
C15 C9 C10 119.39(17) . . ?
O16 C17 C18 121.64(17) . . ?
O16 C17 C23 118.92(19) . . ?
C18 C17 C23 119.38(18) . . ?
C9 C10 C12 119.8(2) . . ?
C9 C10 C11 119.16(16) . . ?
C12 C10 C11 121.03(19) . . ?
C30 C35 C34 123.31(18) . . ?
C14 C15 C9 119.4(2) . . ?
N6 C11 C10 122.51(17) . . ?
C28 C29 C24 122.89(18) . . ?
F1 C25 C26 115.74(18) . . ?
F1 C25 C24 118.11(16) . . ?
C26 C25 C24 126.13(18) . . ?
O1 B7 O8 109.03(15) . . ?
O1 B7 N6 110.93(13) . . ?
O8 B7 N6 107.41(13) . . ?
O1 B7 C30 113.17(14) . . ?
O8 B7 C30 108.47(13) . . ?
N6 B7 C30 107.64(14) . . ?
N6 C5 C4 113.01(15) . . ?
F3 C31 C30 118.19(16) . . ?
F3 C31 C32 116.43(18) . . ?
C30 C31 C32 125.36(19) . . ?
C27 C26 C25 115.74(19) . . ?
C28 C27 C26 123.32(18) . . ?
C28 C27 F2 119.1(2) . . ?
C26 C27 F2 117.6(2) . . ?
N3 C19 C18 122.68(18) . . ?
N3 C4 C5 112.87(14) . . ?
C32 C33 C34 122.38(19) . . ?
C32 C33 F4 118.5(2) . . ?
C34 C33 F4 119.1(2) . . ?
C33 C34 C35 118.19(19) . . ?
C27 C28 C29 118.22(18) . . ?
C17 C18 C20 120.3(2) . . ?
C17 C18 C19 118.80(16) . . ?
C20 C18 C19 120.8(2) . . ?
O1 B2 O16 109.68(15) . . ?
O1 B2 N3 108.99(14) . . ?
O16 B2 N3 106.85(14) . . ?
O1 B2 C24 114.38(14) . . ?
O16 B2 C24 106.12(14) . . ?
N3 B2 C24 110.52(14) . . ?
C33 C32 C31 117.0(2) . . ?
C20 C21 C22 120.0(2) . . ?
C13 C12 C10 120.2(2) . . ?
C22 C23 C17 119.1(2) . . ?
C15 C14 C13 121.3(2) . . ?
C21 C20 C18 119.5(3) . . ?
C12 C13 C14 119.9(2) . . ?
C23 C22 C21 121.6(3) . . ?
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
O1 B2 1.414(2) . ?
O1 B7 1.416(2) . ?
O8 C9 1.3323(18) . ?
O8 B7 1.499(2) . ?
N6 C11 1.283(2) . ?
N6 C5 1.465(2) . ?
N6 B7 1.613(2) . ?
O16 C17 1.332(2) . ?
O16 B2 1.499(2) . ?
N3 C19 1.291(2) . ?
N3 C4 1.466(2) . ?
N3 B2 1.610(2) . ?
F3 C31 1.369(2) . ?
F2 C27 1.371(2) . ?
C24 C25 1.380(2) . ?
C24 C29 1.392(2) . ?
C24 B2 1.615(2) . ?
C30 C31 1.374(2) . ?
C30 C35 1.387(2) . ?
C30 B7 1.630(2) . ?
C9 C15 1.391(3) . ?
C9 C10 1.400(2) . ?
F1 C25 1.371(2) . ?
F4 C33 1.367(2) . ?
C17 C18 1.390(3) . ?
C17 C23 1.395(3) . ?
C10 C12 1.401(3) . ?
C10 C11 1.423(3) . ?
C35 C34 1.387(2) . ?
C15 C14 1.381(3) . ?
C29 C28 1.388(2) . ?
C25 C26 1.375(2) . ?
C5 C4 1.507(2) . ?
C31 C32 1.378(3) . ?
C26 C27 1.362(3) . ?
C27 C28 1.349(3) . ?
C19 C18 1.424(3) . ?
C33 C32 1.351(3) . ?
C33 C34 1.353(3) . ?
C18 C20 1.408(3) . ?
C21 C20 1.361(4) . ?
C21 C22 1.381(4) . ?
C12 C13 1.362(3) . ?
C23 C22 1.378(3) . ?
C14 C13 1.382(3) . ?
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
_geom_torsion_publ_flag
B7 O8 C9 C15 165.71(16) . . . . ?
B7 O8 C9 C10 -16.2(2) . . . . ?
B2 O16 C17 C18 -15.4(3) . . . . ?
B2 O16 C17 C23 167.37(17) . . . . ?
O8 C9 C10 C12 -176.88(16) . . . . ?
C15 C9 C10 C12 1.2(3) . . . . ?
O8 C9 C10 C11 2.2(3) . . . . ?
C15 C9 C10 C11 -179.79(16) . . . . ?
C31 C30 C35 C34 0.3(3) . . . . ?
B7 C30 C35 C34 179.06(16) . . . . ?
O8 C9 C15 C14 177.80(16) . . . . ?
C10 C9 C15 C14 -0.3(3) . . . . ?
C5 N6 C11 C10 -179.26(16) . . . . ?
B7 N6 C11 C10 1.0(3) . . . . ?
C9 C10 C11 N6 5.2(3) . . . . ?
C12 C10 C11 N6 -175.78(17) . . . . ?
C25 C24 C29 C28 0.4(3) . . . . ?
B2 C24 C29 C28 -174.48(17) . . . . ?
C29 C24 C25 F1 179.12(17) . . . . ?
B2 C24 C25 F1 -6.3(3) . . . . ?
C29 C24 C25 C26 0.7(3) . . . . ?
B2 C24 C25 C26 175.30(19) . . . . ?
B2 O1 B7 O8 143.57(16) . . . . ?
B2 O1 B7 N6 25.5(3) . . . . ?
B2 O1 B7 C30 -95.6(2) . . . . ?
C9 O8 B7 O1 -100.55(17) . . . . ?
C9 O8 B7 N6 19.7(2) . . . . ?
C9 O8 B7 C30 135.81(16) . . . . ?
C11 N6 B7 O1 106.93(18) . . . . ?
C5 N6 B7 O1 -72.84(19) . . . . ?
C11 N6 B7 O8 -12.1(2) . . . . ?
C5 N6 B7 O8 168.10(14) . . . . ?
C11 N6 B7 C30 -128.75(16) . . . . ?
C5 N6 B7 C30 51.48(19) . . . . ?
C31 C30 B7 O1 175.35(16) . . . . ?
C35 C30 B7 O1 -3.3(2) . . . . ?
C31 C30 B7 O8 -63.5(2) . . . . ?
C35 C30 B7 O8 117.82(17) . . . . ?
C31 C30 B7 N6 52.4(2) . . . . ?
C35 C30 B7 N6 -126.25(17) . . . . ?
C11 N6 C5 C4 -104.78(18) . . . . ?
B7 N6 C5 C4 75.00(19) . . . . ?
C35 C30 C31 F3 179.16(16) . . . . ?
B7 C30 C31 F3 0.4(3) . . . . ?
C35 C30 C31 C32 0.9(3) . . . . ?
B7 C30 C31 C32 -177.89(19) . . . . ?
F1 C25 C26 C27 -179.45(18) . . . . ?
C24 C25 C26 C27 -1.0(3) . . . . ?
C25 C26 C27 C28 0.2(3) . . . . ?
C25 C26 C27 F2 -179.78(18) . . . . ?
C4 N3 C19 C18 -178.74(15) . . . . ?
B2 N3 C19 C18 6.7(2) . . . . ?
C19 N3 C4 C5 -97.94(19) . . . . ?
B2 N3 C4 C5 76.74(19) . . . . ?
N6 C5 C4 N3 -63.0(2) . . . . ?
C32 C33 C34 C35 0.6(3) . . . . ?
F4 C33 C34 C35 -178.86(16) . . . . ?
C30 C35 C34 C33 -1.0(3) . . . . ?
C26 C27 C28 C29 0.7(3) . . . . ?
F2 C27 C28 C29 -179.25(17) . . . . ?
C24 C29 C28 C27 -1.0(3) . . . . ?
O16 C17 C18 C20 -178.54(16) . . . . ?
C23 C17 C18 C20 -1.3(3) . . . . ?
O16 C17 C18 C19 -1.9(3) . . . . ?
C23 C17 C18 C19 175.30(16) . . . . ?
N3 C19 C18 C17 5.7(3) . . . . ?
N3 C19 C18 C20 -177.66(16) . . . . ?
B7 O1 B2 O16 148.34(17) . . . . ?
B7 O1 B2 N3 31.7(2) . . . . ?
B7 O1 B2 C24 -92.6(2) . . . . ?
C17 O16 B2 O1 -93.67(18) . . . . ?
C17 O16 B2 N3 24.3(2) . . . . ?
C17 O16 B2 C24 142.29(15) . . . . ?
C19 N3 B2 O1 98.45(18) . . . . ?
C4 N3 B2 O1 -76.10(18) . . . . ?
C19 N3 B2 O16 -20.0(2) . . . . ?
C4 N3 B2 O16 165.45(14) . . . . ?
C19 N3 B2 C24 -135.03(16) . . . . ?
C4 N3 B2 C24 50.41(19) . . . . ?
C25 C24 B2 O1 167.66(17) . . . . ?
C29 C24 B2 O1 -18.1(2) . . . . ?
C25 C24 B2 O16 -71.3(2) . . . . ?
C29 C24 B2 O16 102.93(18) . . . . ?
C25 C24 B2 N3 44.2(2) . . . . ?
C29 C24 B2 N3 -141.57(16) . . . . ?
C34 C33 C32 C31 0.4(3) . . . . ?
F4 C33 C32 C31 179.89(18) . . . . ?
F3 C31 C32 C33 -179.56(19) . . . . ?
C30 C31 C32 C33 -1.2(3) . . . . ?
C9 C10 C12 C13 -1.4(3) . . . . ?
C11 C10 C12 C13 179.60(19) . . . . ?
O16 C17 C23 C22 177.35(17) . . . . ?
C18 C17 C23 C22 0.0(3) . . . . ?
C9 C15 C14 C13 -0.4(3) . . . . ?
C22 C21 C20 C18 0.2(3) . . . . ?
C17 C18 C20 C21 1.2(3) . . . . ?
C19 C18 C20 C21 -175.35(19) . . . . ?
C10 C12 C13 C14 0.7(3) . . . . ?
C15 C14 C13 C12 0.2(3) . . . . ?
C17 C23 C22 C21 1.4(3) . . . . ?
C20 C21 C22 C23 -1.5(4) . . . . ?
