#------------------------------------------------------------------------------
#$Date: 2016-03-26 14:58:14 +0200 (Sat, 26 Mar 2016) $
#$Revision: 180282 $
#$URL: svn://www.crystallography.net/cod/cif/7/11/68/7116872.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_7116872
loop_
_publ_author_name
'K. W. J. Heard'
'J. J. Morrison'
'L. Weston'
'C. H. Lo'
'L. Pirvu'
'J. Raftery'
'M. S. Little'
'J. J. W. McDouall'
'S. G. Yeates'
'P. Quayle'
_publ_section_title
;
 An orthogonal C-H borylation - cross-coupling strategy for the
 preparation of tetrasubstituted 'A2B2'-chrysene derivatives with tuneable
 photophysical properties
;
_journal_name_full               Chem.Commun.
_journal_page_first              6115
_journal_paper_doi               10.1039/C4cc10132D
_journal_volume                  51
_journal_year                    2015
_chemical_formula_sum            'C20 H8 Cl2 F6'
_chemical_formula_weight         433.16
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_date
; 
'Fri Aug 08 13:28:26 2014' 
;
_audit_creation_method
; 
CrysAlisPro, Oxford Diffraction Ltd., 
Version 1.171.36.20 (release 27-06-2012 CrysAlis171 .NET) 
(compiled Jul 11 2012,15:38:31) 
;
_audit_update_record
;
2014-10-17 deposited with the CCDC.
2015-02-26 downloaded from the CCDC.
;
_cell_angle_alpha                97.590(3)
_cell_angle_beta                 96.803(3)
_cell_angle_gamma                103.045(3)
_cell_formula_units_Z            3
_cell_length_a                   8.5128(3)
_cell_length_b                   11.4844(5)
_cell_length_c                   13.1495(5)
_cell_measurement_reflns_used    7255
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      74.4629
_cell_measurement_theta_min      3.4287
_cell_volume                     1226.68(9)
_computing_cell_refinement
; 
CrysAlisPro, Agilent Technologies, 
Version 1.171.36.20 (release 27-06-2012 CrysAlis171 .NET) 
(compiled Jul 11 2012,15:38:31) 
;
_computing_data_reduction
; 
CrysAlisPro, Agilent Technologies, 
Version 1.171.36.20 (release 27-06-2012 CrysAlis171 .NET) 
(compiled Jul 11 2012,15:38:31) 
;
_diffrn_ambient_temperature      100(2)
_diffrn_measured_fraction_theta_full 0.963
_diffrn_measured_fraction_theta_max 0.931
_diffrn_measurement_details
; 
  1 omega   86.58  268.93   1.1997    6.0000 
omega____ theta____ kappa____ phi______ frames 
    -      113.0000   73.8669  219.2088 152 
  
  2 omega   84.15  238.91   1.1997    6.0000 
omega____ theta____ kappa____ phi______ frames 
    -      111.0000   73.8669   69.2094 129 
  
  3 phi    124.45  326.15   1.2006    6.0000 
omega____ theta____ kappa____ phi______ frames 
 161.4694  110.0000   73.8669     -     168 
  
  4 omega   94.08  246.48   1.2000    6.0000 
omega____ theta____ kappa____ phi______ frames 
    -      112.0000   73.8669    4.2094 127 
  
  5 omega  -62.04   57.96   1.2000    0.7200 
omega____ theta____ kappa____ phi______ frames 
    -      -45.0000   73.8669  289.2094 100 
  
  6 omega   83.89  190.66   1.1997    6.0000 
omega____ theta____ kappa____ phi______ frames 
    -      110.0000   73.8669  109.2094 89 
  
  7 phi    156.11  306.19   1.2006    3.0000 
omega____ theta____ kappa____ phi______ frames 
 111.2994  -40.0000   73.8669     -     125 
  
  8 omega  124.43  227.63   1.2000    6.0000 
omega____ theta____ kappa____ phi______ frames 
    -      110.0000   73.8669  314.2094 86 
  
  9 omega  -67.84   47.39   1.2003    3.0000 
omega____ theta____ kappa____ phi______ frames 
    -      -57.0000   73.8669   39.2088 96 
  
 10 omega  163.61  268.04   1.2003    6.0000 
omega____ theta____ kappa____ phi______ frames 
    -      112.0000   73.8669  149.2088 87 
  
 11 omega   94.28  169.88   1.2000    6.0000 
omega____ theta____ kappa____ phi______ frames 
    -      113.0000   73.8669  -25.7900 63 
  
 12 omega   55.01  128.21   1.2000    3.0000 
omega____ theta____ kappa____ phi______ frames 
    -       55.5000   73.8669  184.2094 61 
  
;
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'ω and π scans'
_diffrn_orient_matrix_UB_11      -0.1621642000
_diffrn_orient_matrix_UB_12      -0.0339469000
_diffrn_orient_matrix_UB_13      -0.0754939000
_diffrn_orient_matrix_UB_21      -0.0408101000
_diffrn_orient_matrix_UB_22      -0.1261777000
_diffrn_orient_matrix_UB_23      0.0324232000
_diffrn_orient_matrix_UB_31      -0.0858978000
_diffrn_orient_matrix_UB_32      0.0491183000
_diffrn_orient_matrix_UB_33      0.0869269000
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'Enhance (Cu) X-ray Source'
_diffrn_radiation_type           'Cu K\a'
_diffrn_radiation_wavelength     1.5418
_diffrn_reflns_av_R_equivalents  0.0232
_diffrn_reflns_av_sigmaI/netI    0.0293
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_limit_l_min       -15
_diffrn_reflns_number            8880
_diffrn_reflns_theta_full        67.00
_diffrn_reflns_theta_max         74.63
_diffrn_reflns_theta_min         3.43
_exptl_absorpt_coefficient_mu    4.224
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.66534
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
; 
CrysAlisPro, Agilent Technologies, 
Version 1.171.36.20 (release 27-06-2012 CrysAlis171 .NET) 
(compiled Jul 11 2012,15:38:31) 
Empirical absorption correction using spherical harmonics, 
 implemented in SCALE3 ABSPACK scaling algorithm. 
;
_exptl_crystal_colour            white
_exptl_crystal_density_diffrn    1.759
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       cuboid
_exptl_crystal_F_000             648
_exptl_crystal_size_max          0.28
_exptl_crystal_size_mid          0.21
_exptl_crystal_size_min          0.07
_refine_diff_density_max         0.489
_refine_diff_density_min         -0.262
_refine_diff_density_rms         0.066
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.003
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     379
_refine_ls_number_reflns         4698
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.003
_refine_ls_R_factor_all          0.0364
_refine_ls_R_factor_gt           0.0329
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0462P)²+0.7853P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0842
_refine_ls_wR_factor_ref         0.0865
_reflns_number_gt                4361
_reflns_number_total             4698
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c4cc10132d2.cif
_cod_data_source_block           s4084na
_cod_original_cell_volume        1226.69(9)
_cod_database_code               7116872
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -z'
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
C1 C -0.1579(2) 0.18274(15) 0.58660(13) 0.0175(3) Uani 1 1 d .
C2 C -0.2622(2) 0.25540(15) 0.61425(13) 0.0171(3) Uani 1 1 d .
H2 H -0.3716 0.2357 0.5797 0.021 Uiso 1 1 calc R
C3 C -0.2082(2) 0.35506(15) 0.69099(13) 0.0157(3) Uani 1 1 d .
C4 C -0.0457(2) 0.38912(14) 0.74726(12) 0.0142(3) Uani 1 1 d .
C5 C 0.02244(19) 0.49165(14) 0.83086(12) 0.0144(3) Uani 1 1 d .
C6 C -0.0774(2) 0.55351(15) 0.88585(13) 0.0156(3) Uani 1 1 d .
H6 H -0.1923 0.5305 0.8650 0.019 Uiso 1 1 calc R
C7 C -0.0129(2) 0.64437(15) 0.96709(13) 0.0160(3) Uani 1 1 d .
H7 H -0.0837 0.6784 1.0058 0.019 Uiso 1 1 calc R
C8 C 0.1592(2) 0.68969(15) 0.99549(13) 0.0151(3) Uani 1 1 d .
C9 C 0.2210(2) 0.78849(15) 1.07739(13) 0.0168(3) Uani 1 1 d .
H9 H 0.1484 0.8208 1.1158 0.020 Uiso 1 1 calc R
C10 C 0.3860(2) 0.83755(15) 1.10127(13) 0.0177(3) Uani 1 1 d .
C11 C 0.4926(2) 0.79432(16) 1.04133(13) 0.0190(3) Uani 1 1 d .
H11 H 0.6061 0.8319 1.0553 0.023 Uiso 1 1 calc R
C12 C 0.4329(2) 0.69771(15) 0.96245(13) 0.0166(3) Uani 1 1 d .
C13 C 0.2641(2) 0.63516(15) 0.94016(12) 0.0149(3) Uani 1 1 d .
C14 C 0.1937(2) 0.52525(15) 0.86504(12) 0.0149(3) Uani 1 1 d .
C15 C 0.2893(2) 0.44339(15) 0.83366(13) 0.0171(3) Uani 1 1 d .
H15 H 0.4016 0.4613 0.8622 0.021 Uiso 1 1 calc R
C16 C 0.2235(2) 0.34104(16) 0.76429(13) 0.0184(3) Uani 1 1 d .
H16 H 0.2889 0.2863 0.7477 0.022 Uiso 1 1 calc R
C17 C 0.0572(2) 0.31349(15) 0.71533(13) 0.0161(3) Uani 1 1 d .
C18 C 0.0008(2) 0.21165(15) 0.63608(13) 0.0177(3) Uani 1 1 d .
H18 H 0.0725 0.1630 0.6169 0.021 Uiso 1 1 calc R
C19 C -0.2231(2) 0.07068(18) 0.50158(14) 0.0216(4) Uani 1 1 d .
C20 C 0.4558(2) 0.94505(17) 1.18709(15) 0.0228(4) Uani 1 1 d .
C21 C 0.9972(2) 0.17166(15) 0.24578(13) 0.0174(3) Uani 1 1 d .
C22 C 1.1471(2) 0.20964(16) 0.31225(14) 0.0198(3) Uani 1 1 d .
H22 H 1.2323 0.1709 0.3005 0.024 Uiso 1 1 calc R
C23 C 1.1714(2) 0.30249(15) 0.39415(14) 0.0179(3) Uani 1 1 d .
C24 C 1.0513(2) 0.36868(15) 0.41433(12) 0.0153(3) Uani 1 1 d .
C25 C 1.0682(2) 0.47535(15) 0.49328(12) 0.0153(3) Uani 1 1 d .
C26 C 0.7790(2) 0.46605(16) 0.44331(13) 0.0183(3) Uani 1 1 d .
H26 H 0.6850 0.4941 0.4553 0.022 Uiso 1 1 calc R
C27 C 0.7647(2) 0.37153(16) 0.36664(13) 0.0186(3) Uani 1 1 d .
H27 H 0.6619 0.3374 0.3242 0.022 Uiso 1 1 calc R
C28 C 0.8988(2) 0.32214(15) 0.34797(12) 0.0155(3) Uani 1 1 d .
C29 C 0.8738(2) 0.22520(15) 0.26451(13) 0.0167(3) Uani 1 1 d .
H29 H 0.7706 0.1974 0.2214 0.020 Uiso 1 1 calc R
C30 C 0.9743(2) 0.06682(16) 0.15793(15) 0.0216(4) Uani 1 1 d .
Cl1 Cl -0.35370(5) 0.43911(4) 0.70557(3) 0.02150(11) Uani 1 1 d .
Cl2 Cl 0.57506(5) 0.66784(4) 0.88358(3) 0.02290(11) Uani 1 1 d .
Cl3 Cl 1.36025(5) 0.32512(4) 0.47274(4) 0.03154(13) Uani 1 1 d .
F1 F -0.11114(14) 0.05794(10) 0.44177(8) 0.0258(2) Uani 1 1 d .
F2 F -0.35425(15) 0.08160(12) 0.44229(10) 0.0364(3) Uani 1 1 d .
F3 F -0.26187(18) -0.02883(10) 0.54285(9) 0.0367(3) Uani 1 1 d .
F4 F 0.59072(16) 0.93290(12) 1.24235(9) 0.0381(3) Uani 1 1 d .
F5 F 0.35019(15) 0.96217(10) 1.25025(9) 0.0301(3) Uani 1 1 d .
F6 F 0.49861(16) 1.04786(10) 1.14734(9) 0.0334(3) Uani 1 1 d .
F7 F 1.09616(15) 0.08298(11) 0.10307(9) 0.0355(3) Uani 1 1 d .
F8 F 0.83558(14) 0.05055(10) 0.09361(8) 0.0269(2) Uani 1 1 d .
F9 F 0.96969(16) -0.03746(10) 0.19453(9) 0.0318(3) Uani 1 1 d .
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'
F F 0.0727 0.0534 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl 0.3639 0.7018 '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
C18 C1 C2 119.71(15) . .
C18 C1 C19 121.01(16) . .
C2 C1 C19 119.27(15) . .
C3 C2 C1 120.63(16) . .
C3 C2 H2 119.7 . .
C1 C2 H2 119.7 . .
C2 C3 C4 122.68(16) . .
C2 C3 Cl1 112.78(13) . .
C4 C3 Cl1 124.41(13) . .
C17 C4 C3 114.73(15) . .
C17 C4 C5 118.40(15) . .
C3 C4 C5 126.87(15) . .
C14 C5 C6 118.22(15) . .
C14 C5 C4 119.10(15) . .
C6 C5 C4 122.47(15) . .
C7 C6 C5 121.83(15) . .
C7 C6 H6 119.1 . .
C5 C6 H6 119.1 . .
C6 C7 C8 121.24(16) . .
C6 C7 H7 119.4 . .
C8 C7 H7 119.4 . .
C9 C8 C13 121.62(15) . .
C9 C8 C7 119.32(15) . .
C13 C8 C7 119.06(15) . .
C10 C9 C8 119.82(16) . .
C10 C9 H9 120.1 . .
C8 C9 H9 120.1 . .
C9 C10 C11 120.19(16) . .
C9 C10 C20 121.09(16) . .
C11 C10 C20 118.56(15) . .
C12 C11 C10 119.95(16) . .
C12 C11 H11 120.0 . .
C10 C11 H11 120.0 . .
C11 C12 C13 122.46(16) . .
C11 C12 Cl2 114.49(13) . .
C13 C12 Cl2 122.72(13) . .
C8 C13 C12 115.27(15) . .
C8 C13 C14 118.85(15) . .
C12 C13 C14 125.86(15) . .
C5 C14 C15 118.91(15) . .
C5 C14 C13 119.19(15) . .
C15 C14 C13 121.52(15) . .
C16 C15 C14 121.42(15) . .
C16 C15 H15 119.3 . .
C14 C15 H15 119.3 . .
C15 C16 C17 121.26(16) . .
C15 C16 H16 119.4 . .
C17 C16 H16 119.4 . .
C18 C17 C4 122.12(15) . .
C18 C17 C16 118.36(16) . .
C4 C17 C16 119.51(15) . .
C1 C18 C17 120.11(16) . .
C1 C18 H18 119.9 . .
C17 C18 H18 119.9 . .
F3 C19 F2 108.73(16) . .
F3 C19 F1 107.94(16) . .
F2 C19 F1 108.29(15) . .
F3 C19 C1 110.87(14) . .
F2 C19 C1 110.36(15) . .
F1 C19 C1 110.57(15) . .
F5 C20 F4 109.07(16) . .
F5 C20 F6 106.76(15) . .
F4 C20 F6 106.32(15) . .
F5 C20 C10 112.53(15) . .
F4 C20 C10 111.14(15) . .
F6 C20 C10 110.73(15) . .
C29 C21 C22 119.63(16) . .
C29 C21 C30 121.67(15) . .
C22 C21 C30 118.61(16) . .
C23 C22 C21 120.39(16) . .
C23 C22 H22 119.8 . .
C21 C22 H22 119.8 . .
C22 C23 C24 123.08(15) . .
C22 C23 Cl3 112.26(13) . .
C24 C23 Cl3 124.61(13) . .
C28 C24 C23 114.00(15) . .
C28 C24 C25 118.06(15) . .
C23 C24 C25 127.94(15) . .
C25 C25 C26 118.31(19) 2_766 2_766
C25 C25 C24 120.16(18) 2_766 .
C26 C25 C24 121.51(15) 2_766 .
C27 C26 C25 121.71(16) . 2_766
C27 C26 H26 119.1 . .
C25 C26 H26 119.1 2_766 .
C26 C27 C28 121.78(15) . .
C26 C27 H27 119.1 . .
C28 C27 H27 119.1 . .
C29 C28 C27 117.99(15) . .
C29 C28 C24 122.41(16) . .
C27 C28 C24 119.58(15) . .
C21 C29 C28 120.23(15) . .
C21 C29 H29 119.9 . .
C28 C29 H29 119.9 . .
F7 C30 F8 108.21(15) . .
F7 C30 F9 106.88(16) . .
F8 C30 F9 106.80(14) . .
F7 C30 C21 111.53(14) . .
F8 C30 C21 112.13(15) . .
F9 C30 C21 111.02(15) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
C1 C18 1.375(2) .
C1 C2 1.396(2) .
C1 C19 1.538(2) .
C2 C3 1.374(2) .
C2 H2 0.9500 .
C3 C4 1.433(2) .
C3 Cl1 1.7462(17) .
C4 C17 1.425(2) .
C4 C5 1.459(2) .
C5 C14 1.422(2) .
C5 C6 1.425(2) .
C6 C7 1.356(2) .
C6 H6 0.9500 .
C7 C8 1.425(2) .
C7 H7 0.9500 .
C8 C9 1.413(2) .
C8 C13 1.416(2) .
C9 C10 1.371(2) .
C9 H9 0.9500 .
C10 C11 1.400(3) .
C10 C20 1.514(2) .
C11 C12 1.372(2) .
C11 H11 0.9500 .
C12 C13 1.430(2) .
C12 Cl2 1.7460(17) .
C13 C14 1.455(2) .
C14 C15 1.428(2) .
C15 C16 1.351(2) .
C15 H15 0.9500 .
C16 C17 1.431(2) .
C16 H16 0.9500 .
C17 C18 1.411(2) .
C18 H18 0.9500 .
C19 F3 1.321(2) .
C19 F2 1.324(2) .
C19 F1 1.326(2) .
C20 F5 1.323(2) .
C20 F4 1.330(2) .
C20 F6 1.347(2) .
C21 C29 1.362(2) .
C21 C22 1.402(2) .
C21 C30 1.515(2) .
C22 C23 1.373(2) .
C22 H22 0.9500 .
C23 C24 1.434(2) .
C23 Cl3 1.7512(17) .
C24 C28 1.424(2) .
C24 C25 1.466(2) .
C25 C25 1.421(3) 2_766
C25 C26 1.428(2) 2_766
C26 C27 1.353(2) .
C26 C25 1.428(2) 2_766
C26 H26 0.9500 .
C27 C28 1.417(2) .
C27 H27 0.9500 .
C28 C29 1.416(2) .
C29 H29 0.9500 .
C30 F7 1.325(2) .
C30 F8 1.329(2) .
C30 F9 1.343(2) .
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_4
C18 C1 C2 C3 -0.5(2) . .
C19 C1 C2 C3 179.03(15) . .
C1 C2 C3 C4 -0.8(3) . .
C1 C2 C3 Cl1 175.25(13) . .
C2 C3 C4 C17 1.7(2) . .
Cl1 C3 C4 C17 -173.90(12) . .
C2 C3 C4 C5 -178.94(16) . .
Cl1 C3 C4 C5 5.4(2) . .
C17 C4 C5 C14 10.8(2) . .
C3 C4 C5 C14 -168.50(15) . .
C17 C4 C5 C6 -163.78(15) . .
C3 C4 C5 C6 16.9(3) . .
C14 C5 C6 C7 1.7(2) . .
C4 C5 C6 C7 176.33(15) . .
C5 C6 C7 C8 5.7(3) . .
C6 C7 C8 C9 176.85(15) . .
C6 C7 C8 C13 -2.6(2) . .
C13 C8 C9 C10 3.3(2) . .
C7 C8 C9 C10 -176.07(16) . .
C8 C9 C10 C11 3.4(3) . .
C8 C9 C10 C20 178.73(15) . .
C9 C10 C11 C12 -4.0(3) . .
C20 C10 C11 C12 -179.46(16) . .
C10 C11 C12 C13 -2.1(3) . .
C10 C11 C12 Cl2 171.49(13) . .
C9 C8 C13 C12 -8.8(2) . .
C7 C8 C13 C12 170.56(15) . .
C9 C8 C13 C14 172.93(15) . .
C7 C8 C13 C14 -7.7(2) . .
C11 C12 C13 C8 8.3(2) . .
Cl2 C12 C13 C8 -164.79(12) . .
C11 C12 C13 C14 -173.62(16) . .
Cl2 C12 C13 C14 13.3(2) . .
C6 C5 C14 C15 161.18(15) . .
C4 C5 C14 C15 -13.6(2) . .
C6 C5 C14 C13 -11.9(2) . .
C4 C5 C14 C13 173.29(14) . .
C8 C13 C14 C5 14.9(2) . .
C12 C13 C14 C5 -163.11(16) . .
C8 C13 C14 C15 -157.98(15) . .
C12 C13 C14 C15 24.0(3) . .
C5 C14 C15 C16 6.7(2) . .
C13 C14 C15 C16 179.65(16) . .
C14 C15 C16 C17 3.2(3) . .
C3 C4 C17 C18 -1.4(2) . .
C5 C4 C17 C18 179.19(15) . .
C3 C4 C17 C16 178.30(15) . .
C5 C4 C17 C16 -1.1(2) . .
C15 C16 C17 C18 173.70(16) . .
C15 C16 C17 C4 -6.0(3) . .
C2 C1 C18 C17 0.8(2) . .
C19 C1 C18 C17 -178.72(15) . .
C4 C17 C18 C1 0.2(3) . .
C16 C17 C18 C1 -179.50(16) . .
C18 C1 C19 F3 80.2(2) . .
C2 C1 C19 F3 -99.28(19) . .
C18 C1 C19 F2 -159.25(16) . .
C2 C1 C19 F2 21.3(2) . .
C18 C1 C19 F1 -39.5(2) . .
C2 C1 C19 F1 141.04(16) . .
C9 C10 C20 F5 17.0(2) . .
C11 C10 C20 F5 -167.63(16) . .
C9 C10 C20 F4 139.63(17) . .
C11 C10 C20 F4 -45.0(2) . .
C9 C10 C20 F6 -102.43(19) . .
C11 C10 C20 F6 73.0(2) . .
C29 C21 C22 C23 -1.8(3) . .
C30 C21 C22 C23 -178.53(16) . .
C21 C22 C23 C24 -2.7(3) . .
C21 C22 C23 Cl3 174.72(13) . .
C22 C23 C24 C28 5.7(2) . .
Cl3 C23 C24 C28 -171.33(12) . .
C22 C23 C24 C25 -174.31(16) . .
Cl3 C23 C24 C25 8.6(3) . .
C28 C24 C25 C25 4.2(3) . 2_766
C23 C24 C25 C25 -175.78(18) . 2_766
C28 C24 C25 C26 -174.40(15) . 2_766
C23 C24 C25 C26 5.6(3) . 2_766
C25 C26 C27 C28 2.8(3) 2_766 .
C26 C27 C28 C29 -178.49(16) . .
C26 C27 C28 C24 3.1(3) . .
C23 C24 C28 C29 -4.8(2) . .
C25 C24 C28 C29 175.26(15) . .
C23 C24 C28 C27 173.55(15) . .
C25 C24 C28 C27 -6.4(2) . .
C22 C21 C29 C28 2.7(2) . .
C30 C21 C29 C28 179.31(15) . .
C27 C28 C29 C21 -177.56(15) . .
C24 C28 C29 C21 0.8(2) . .
C29 C21 C30 F7 132.91(17) . .
C22 C21 C30 F7 -50.4(2) . .
C29 C21 C30 F8 11.4(2) . .
C22 C21 C30 F8 -171.98(15) . .
C29 C21 C30 F9 -108.02(19) . .
C22 C21 C30 F9 68.6(2) . .
