#------------------------------------------------------------------------------
#$Date: 2016-03-26 21:04:43 +0200 (Sat, 26 Mar 2016) $
#$Revision: 180464 $
#$URL: svn://www.crystallography.net/cod/cif/7/21/33/7213362.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided the Crystal Eye server at
# http://wwmm.ch.cam.ac.uk/crystaleye/, created by Nick Day at the
# Peter Murray-Rust laboratory.
#
# The file may be used within the scientific community so long as
# proper attribution is given to the journal article from which the
# data were obtained.
#
data_7213362
loop_
_publ_author_name
'Tanaka, Koichi'
'Fujimoto, Daisuke'
'Altreuther, A.'
'Oeser, Thomas'
'Irngartinger, Hermann'
'Toda, Fumio'
_publ_section_title
;
 Chiral inclusion crystallization of achiral
 tetrakis( p-halophenyl)ethylenes with achiral guest compounds
;
_journal_issue                   10
_journal_name_full
'Journal of the Chemical Society, Perkin Transactions 2'
_journal_page_first              2115
_journal_paper_doi               10.1039/b003473h
_journal_year                    2000
_chemical_formula_sum            'C38 H31 F4'
_chemical_formula_weight         563.63
_chemical_name_systematic
;
Tetra-(4-fluorophenyl)ethene xylene inclusion compound (4.pXy)
;
_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_method           SHELXL-97
_cell_angle_alpha                91.15(2)
_cell_angle_beta                 97.65(3)
_cell_angle_gamma                104.15(2)
_cell_formula_units_Z            2
_cell_length_a                   9.175(5)
_cell_length_b                   9.522(2)
_cell_length_c                   17.790(4)
_cell_measurement_reflns_used    25
_cell_measurement_temperature    173(2)
_cell_measurement_theta_max      18.6
_cell_measurement_theta_min      10.2
_cell_volume                     1491.4(10)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      173(2)
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device_type  NONIUS_CAD4
_diffrn_measurement_method       ω2θ
_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  0.0135
_diffrn_reflns_av_sigmaI/netI    0.0395
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_l_max       23
_diffrn_reflns_limit_l_min       -23
_diffrn_reflns_number            7597
_diffrn_reflns_theta_full        27.97
_diffrn_reflns_theta_max         27.97
_diffrn_reflns_theta_min         2.21
_diffrn_standards_decay_%        2
_diffrn_standards_interval_count 100
_diffrn_standards_interval_time  60
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    0.089
_exptl_absorpt_correction_T_max  0.987
_exptl_absorpt_correction_T_min  0.961
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.255
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       plate
_exptl_crystal_F_000             590
_exptl_crystal_size_max          0.45
_exptl_crystal_size_mid          0.35
_exptl_crystal_size_min          0.15
_refine_diff_density_max         0.234
_refine_diff_density_min         -0.218
_refine_diff_density_rms         0.047
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.007
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     470
_refine_ls_number_reflns         7170
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.007
_refine_ls_R_factor_all          0.091
_refine_ls_R_factor_gt           0.041
_refine_ls_shift/su_max          0.010
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0642P)²+0.2255P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.104
_refine_ls_wR_factor_ref         0.122
_reflns_number_gt                4562
_reflns_number_total             7170
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b003473hsup1.cif
_cod_data_source_block           731todaf
_cod_depositor_comments
;
The following automatic conversions were performed:

'_refine_ls_weighting_scheme' value 'calc
w=1/[\s^2^(Fo^2^)+(0.0642P)^2^+0.2255P] where P=(Fo^2^+2Fc^2^)/3' was
changed to 'calc'. New tag '_refine_ls_weighting_details' was
created. The value of the new tag was set to
'w=1/[\s^2^(Fo^2^)+(0.0642P)^2^+0.2255P] where P=(Fo^2^+2Fc^2^)/3'.

Automatic conversion script
Id: cif_fix_values 3143 2015-03-26 13:38:13Z robertas 
;
_cod_original_cell_volume        1491.5(9)
_cod_database_code               7213362
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_calc_flag
_atom_site_refinement_flags
F1 F 0.91724(13) 0.83079(11) -0.10147(5) 0.0519(3) Uani 1 d .
F2 F 0.91367(15) 1.27586(11) 0.37547(6) 0.0635(3) Uani 1 d .
F3 F 0.60466(12) 0.12874(10) 0.03252(5) 0.0481(3) Uani 1 d .
F4 F 0.74523(16) 0.51915(14) 0.53496(6) 0.0716(4) Uani 1 d .
C1 C 0.78030(15) 0.62585(14) 0.22851(7) 0.0271(3) Uani 1 d .
C2 C 0.82515(15) 0.75833(14) 0.20164(7) 0.0269(3) Uani 1 d .
C3 C 0.85073(16) 0.77759(14) 0.12112(7) 0.0276(3) Uani 1 d .
C4 C 0.94963(18) 0.71158(18) 0.08956(9) 0.0366(3) Uani 1 d .
C5 C 0.97232(19) 0.72861(19) 0.01459(9) 0.0414(4) Uani 1 d .
C6 C 0.89559(18) 0.81337(16) -0.02785(8) 0.0360(3) Uani 1 d .
C7 C 0.79932(18) 0.88284(16) 0.00095(8) 0.0356(3) Uani 1 d .
C8 C 0.77774(17) 0.86472(15) 0.07599(8) 0.0307(3) Uani 1 d .
C9 C 0.84895(17) 0.89494(14) 0.24889(7) 0.0285(3) Uani 1 d .
C10 C 0.73775(18) 0.91759(16) 0.29012(8) 0.0336(3) Uani 1 d .
C11 C 0.7584(2) 1.04646(18) 0.33259(9) 0.0410(4) Uani 1 d .
C12 C 0.8922(2) 1.14994(16) 0.33329(8) 0.0420(4) Uani 1 d .
C13 C 1.0040(2) 1.13320(17) 0.29269(9) 0.0412(4) Uani 1 d .
C14 C 0.98107(18) 1.00466(16) 0.24966(8) 0.0335(3) Uani 1 d .
C15 C 0.73304(16) 0.49304(14) 0.17689(7) 0.0268(3) Uani 1 d .
C16 C 0.80006(17) 0.37782(15) 0.18956(8) 0.0314(3) Uani 1 d .
C17 C 0.75893(19) 0.25549(16) 0.14070(9) 0.0357(3) Uani 1 d .
C18 C 0.64736(18) 0.24885(15) 0.08045(8) 0.0337(3) Uani 1 d .
C19 C 0.57444(18) 0.35774(16) 0.06681(8) 0.0346(3) Uani 1 d .
C20 C 0.61900(17) 0.48024(15) 0.11538(8) 0.0307(3) Uani 1 d .
C21 C 0.77259(17) 0.60029(14) 0.31045(8) 0.0287(3) Uani 1 d .
C22 C 0.6396(2) 0.51849(19) 0.33272(9) 0.0422(4) Uani 1 d .
C23 C 0.6294(2) 0.4922(2) 0.40819(10) 0.0518(5) Uani 1 d .
C24 C 0.7550(2) 0.54581(19) 0.46051(9) 0.0459(4) Uani 1 d .
C25 C 0.8891(2) 0.62398(18) 0.44168(9) 0.0420(4) Uani 1 d .
C26 C 0.89707(19) 0.65232(16) 0.36589(8) 0.0344(3) Uani 1 d .
C27 C 0.2994(2) 0.6537(2) 0.20360(12) 0.0508(4) Uani 1 d .
C28 C 0.2883(2) 0.7186(2) 0.27205(13) 0.0605(5) Uani 1 d .
C29 C 0.3228(2) 0.8676(2) 0.28328(11) 0.0551(5) Uani 1 d .
C30 C 0.37130(19) 0.95769(19) 0.22673(10) 0.0433(4) Uani 1 d .
C31 C 0.3856(2) 0.8929(2) 0.15887(10) 0.0434(4) Uani 1 d .
C32 C 0.3500(2) 0.7442(2) 0.14757(11) 0.0475(4) Uani 1 d .
C33 C 0.2547(3) 0.4920(2) 0.18979(17) 0.0790(7) Uani 1 d .
H33A H 0.2548 0.4459 0.2386 0.119 Uiso 1 calc R
H33B H 0.3273 0.4620 0.1612 0.119 Uiso 1 calc R
H33C H 0.1528 0.4623 0.1606 0.119 Uiso 1 calc R
C34 C 0.4075(2) 1.1200(2) 0.23855(13) 0.0599(5) Uani 1 d .
H34A H 0.5147 1.1613 0.2342 0.090 Uiso 1 calc R
H34B H 0.3876 1.1456 0.2892 0.090 Uiso 1 calc R
H34C H 0.3437 1.1589 0.1999 0.090 Uiso 1 calc R
C35 C 0.3483(2) 0.0098(2) 0.48735(9) 0.0438(4) Uani 1 d .
C36 C 0.3837(2) -0.1227(2) 0.48633(11) 0.0508(4) Uani 1 d .
C37 C 0.4670(2) 0.1319(2) 0.50143(10) 0.0489(4) Uani 1 d .
C38 C 0.1861(2) 0.0199(3) 0.47376(12) 0.0646(6) Uani 1 d .
H38A H 0.1807 0.1173 0.4898 0.097 Uiso 1 calc R
H38B H 0.1247 -0.0520 0.5030 0.097 Uiso 1 calc R
H38C H 0.1470 0.0009 0.4196 0.097 Uiso 1 calc R
H4 H 1.003(2) 0.652(2) 0.1200(11) 0.049(5) Uiso 1 d .
H5 H 1.038(2) 0.683(2) -0.0088(11) 0.058(6) Uiso 1 d .
H7 H 0.747(2) 0.946(2) -0.0313(11) 0.051(5) Uiso 1 d .
H8 H 0.7094(19) 0.9159(17) 0.0982(9) 0.036(4) Uiso 1 d .
H10 H 0.646(2) 0.8443(18) 0.2900(9) 0.036(4) Uiso 1 d .
H11 H 0.680(2) 1.063(2) 0.3614(11) 0.052(5) Uiso 1 d .
H13 H 1.100(2) 1.207(2) 0.2942(11) 0.055(5) Uiso 1 d .
H14 H 1.061(2) 0.9902(18) 0.2192(10) 0.043(5) Uiso 1 d .
H16 H 0.8775(19) 0.3883(17) 0.2326(10) 0.034(4) Uiso 1 d .
H17 H 0.802(2) 0.178(2) 0.1487(10) 0.050(5) Uiso 1 d .
H19 H 0.496(2) 0.3446(18) 0.0240(10) 0.039(4) Uiso 1 d .
H20 H 0.5717(19) 0.5599(18) 0.1076(9) 0.036(4) Uiso 1 d .
H22 H 0.556(2) 0.483(2) 0.2947(11) 0.053(5) Uiso 1 d .
H23 H 0.540(3) 0.437(2) 0.4229(12) 0.070(7) Uiso 1 d .
H25 H 0.971(2) 0.655(2) 0.4809(11) 0.048(5) Uiso 1 d .
H26 H 0.990(2) 0.7066(19) 0.3503(10) 0.043(5) Uiso 1 d .
H28 H 0.259(3) 0.658(3) 0.3129(14) 0.083(7) Uiso 1 d .
H29 H 0.317(2) 0.915(2) 0.3320(12) 0.062(6) Uiso 1 d .
H31 H 0.418(2) 0.951(2) 0.1157(12) 0.061(6) Uiso 1 d .
H32 H 0.359(2) 0.698(2) 0.0993(12) 0.060(6) Uiso 1 d .
H36 H 0.298(3) -0.213(2) 0.4739(12) 0.066(6) Uiso 1 d .
H37 H 0.448(2) 0.232(2) 0.5052(12) 0.065(6) Uiso 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 0.0033 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'
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
C2 C1 C15 121.31(12) . .
C2 C1 C21 123.59(12) . .
C15 C1 C21 115.10(11) . .
C1 C2 C9 122.96(12) . .
C1 C2 C3 121.68(12) . .
C9 C2 C3 115.35(11) . .
C4 C3 C8 118.35(13) . .
C4 C3 C2 121.16(12) . .
C8 C3 C2 120.48(13) . .
C5 C4 C3 121.09(14) . .
C5 C4 H4 118.9(11) . .
C3 C4 H4 120.0(11) . .
C6 C5 C4 118.28(15) . .
C6 C5 H5 118.8(12) . .
C4 C5 H5 122.9(12) . .
F1 C6 C7 118.43(14) . .
F1 C6 C5 118.69(15) . .
C7 C6 C5 122.88(14) . .
C6 C7 C8 118.17(14) . .
C6 C7 H7 120.8(11) . .
C8 C7 H7 121.0(11) . .
C7 C8 C3 121.21(14) . .
C7 C8 H8 119.3(9) . .
C3 C8 H8 119.5(9) . .
C10 C9 C14 119.01(14) . .
C10 C9 C2 120.79(13) . .
C14 C9 C2 120.15(13) . .
C11 C10 C9 120.76(15) . .
C11 C10 H10 118.7(10) . .
C9 C10 H10 120.5(10) . .
C12 C11 C10 118.18(16) . .
C12 C11 H11 120.8(11) . .
C10 C11 H11 121.1(12) . .
F2 C12 C13 118.50(16) . .
F2 C12 C11 118.41(16) . .
C13 C12 C11 123.08(15) . .
C12 C13 C14 118.17(16) . .
C12 C13 H13 122.6(11) . .
C14 C13 H13 119.2(11) . .
C13 C14 C9 120.78(16) . .
C13 C14 H14 119.6(10) . .
C9 C14 H14 119.7(10) . .
C20 C15 C16 118.43(13) . .
C20 C15 C1 120.69(12) . .
C16 C15 C1 120.87(13) . .
C17 C16 C15 121.06(14) . .
C17 C16 H16 121.8(10) . .
C15 C16 H16 117.1(10) . .
C18 C17 C16 118.24(14) . .
C18 C17 H17 119.9(12) . .
C16 C17 H17 121.9(12) . .
F3 C18 C17 118.88(13) . .
F3 C18 C19 118.20(14) . .
C17 C18 C19 122.91(14) . .
C18 C19 C20 118.02(14) . .
C18 C19 H19 118.2(10) . .
C20 C19 H19 123.7(10) . .
C19 C20 C15 121.28(13) . .
C19 C20 H20 120.9(10) . .
C15 C20 H20 117.9(10) . .
C26 C21 C22 118.25(14) . .
C26 C21 C1 121.81(13) . .
C22 C21 C1 119.91(14) . .
C23 C22 C21 121.20(17) . .
C23 C22 H22 121.0(12) . .
C21 C22 H22 117.8(12) . .
C24 C23 C22 118.26(17) . .
C24 C23 H23 120.8(14) . .
C22 C23 H23 120.9(14) . .
C25 C24 F4 118.75(16) . .
C25 C24 C23 122.99(15) . .
F4 C24 C23 118.26(16) . .
C24 C25 C26 118.24(16) . .
C24 C25 H25 117.8(11) . .
C26 C25 H25 124.0(12) . .
C21 C26 C25 121.03(15) . .
C21 C26 H26 118.1(11) . .
C25 C26 H26 120.8(11) . .
C28 C27 C32 117.20(19) . .
C28 C27 C33 121.5(2) . .
C32 C27 C33 121.3(2) . .
C29 C28 C27 121.28(18) . .
C29 C28 H28 119.9(14) . .
C27 C28 H28 118.8(14) . .
C28 C29 C30 121.29(19) . .
C28 C29 H29 122.0(12) . .
C30 C29 H29 116.7(12) . .
C31 C30 C29 117.44(18) . .
C31 C30 C34 121.15(16) . .
C29 C30 C34 121.40(17) . .
C32 C31 C30 121.18(17) . .
C32 C31 H31 117.3(11) . .
C30 C31 H31 121.5(11) . .
C31 C32 C27 121.57(18) . .
C31 C32 H32 121.1(12) . .
C27 C32 H32 117.4(12) . .
C27 C33 H33A 109.5 . .
C27 C33 H33B 109.5 . .
H33A C33 H33B 109.5 . .
C27 C33 H33C 109.5 . .
H33A C33 H33C 109.5 . .
H33B C33 H33C 109.5 . .
C30 C34 H34A 109.5 . .
C30 C34 H34B 109.5 . .
H34A C34 H34B 109.5 . .
C30 C34 H34C 109.5 . .
H34A C34 H34C 109.5 . .
H34B C34 H34C 109.5 . .
C37 C35 C36 117.45(17) . .
C37 C35 C38 121.56(18) . .
C36 C35 C38 120.99(19) . .
C35 C36 C37 120.95(19) . 2_656
C35 C36 H36 118.4(12) . .
C37 C36 H36 120.6(12) 2_656 .
C35 C37 C36 121.60(17) . 2_656
C35 C37 H37 120.9(12) . .
C36 C37 H37 117.5(12) 2_656 .
C35 C38 H38A 109.5 . .
C35 C38 H38B 109.5 . .
H38A C38 H38B 109.5 . .
C35 C38 H38C 109.5 . .
H38A C38 H38C 109.5 . .
H38B C38 H38C 109.5 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
F1 C6 1.3579(16) .
F2 C12 1.3596(17) .
F3 C18 1.3570(17) .
F4 C24 1.3641(18) .
C1 C2 1.3463(19) .
C1 C15 1.4867(19) .
C1 C21 1.4907(19) .
C2 C9 1.4882(19) .
C2 C3 1.4897(18) .
C3 C4 1.391(2) .
C3 C8 1.392(2) .
C4 C5 1.384(2) .
C4 H4 0.965(19) .
C5 C6 1.370(2) .
C5 H5 0.95(2) .
C6 C7 1.369(2) .
C7 C8 1.384(2) .
C7 H7 1.000(19) .
C8 H8 0.997(17) .
C9 C10 1.388(2) .
C9 C14 1.392(2) .
C10 C11 1.387(2) .
C10 H10 0.955(17) .
C11 C12 1.372(3) .
C11 H11 0.98(2) .
C12 C13 1.368(3) .
C13 C14 1.386(2) .
C13 H13 0.98(2) .
C14 H14 1.003(18) .
C15 C20 1.391(2) .
C15 C16 1.391(2) .
C16 C17 1.383(2) .
C16 H16 0.959(17) .
C17 C18 1.369(2) .
C17 H17 0.920(19) .
C18 C19 1.374(2) .
C19 C20 1.381(2) .
C19 H19 0.960(18) .
C20 H20 0.966(17) .
C21 C26 1.388(2) .
C21 C22 1.389(2) .
C22 C23 1.382(2) .
C22 H22 0.94(2) .
C23 C24 1.365(3) .
C23 H23 0.93(2) .
C24 C25 1.361(3) .
C25 C26 1.388(2) .
C25 H25 0.94(2) .
C26 H26 0.958(19) .
C27 C28 1.382(3) .
C27 C32 1.384(3) .
C27 C33 1.500(3) .
C28 C29 1.380(3) .
C28 H28 0.96(3) .
C29 C30 1.383(3) .
C29 H29 0.98(2) .
C30 C31 1.381(2) .
C30 C34 1.503(3) .
C31 C32 1.377(3) .
C31 H31 0.99(2) .
C32 H32 0.98(2) .
C33 H33A 0.9800 .
C33 H33B 0.9800 .
C33 H33C 0.9800 .
C34 H34A 0.9800 .
C34 H34B 0.9800 .
C34 H34C 0.9800 .
C35 C37 1.378(3) .
C35 C36 1.378(3) .
C35 C38 1.503(3) .
C36 C37 1.382(3) 2_656
C36 H36 1.01(2) .
C37 C36 1.383(3) 2_656
C37 H37 1.02(2) .
C38 H38A 0.9800 .
C38 H38B 0.9800 .
C38 H38C 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_4
C15 C1 C2 C9 169.68(13) .
C21 C1 C2 C9 -9.8(2) .
C15 C1 C2 C3 -8.8(2) .
C21 C1 C2 C3 171.77(13) .
C1 C2 C3 C4 -55.1(2) .
C9 C2 C3 C4 126.31(15) .
C1 C2 C3 C8 126.06(15) .
C9 C2 C3 C8 -52.52(18) .
C8 C3 C4 C5 -1.7(2) .
C2 C3 C4 C5 179.47(15) .
C3 C4 C5 C6 0.5(2) .
C4 C5 C6 F1 179.95(14) .
C4 C5 C6 C7 0.8(3) .
F1 C6 C7 C8 -179.98(13) .
C5 C6 C7 C8 -0.8(2) .
C6 C7 C8 C3 -0.4(2) .
C4 C3 C8 C7 1.7(2) .
C2 C3 C8 C7 -179.49(13) .
C1 C2 C9 C10 -51.01(19) .
C3 C2 C9 C10 127.54(14) .
C1 C2 C9 C14 131.77(15) .
C3 C2 C9 C14 -49.68(17) .
C14 C9 C10 C11 -1.1(2) .
C2 C9 C10 C11 -178.33(13) .
C9 C10 C11 C12 -0.7(2) .
C10 C11 C12 F2 -179.32(13) .
C10 C11 C12 C13 1.7(2) .
F2 C12 C13 C14 -179.83(13) .
C11 C12 C13 C14 -0.8(2) .
C12 C13 C14 C9 -1.0(2) .
C10 C9 C14 C13 1.9(2) .
C2 C9 C14 C13 179.21(13) .
C2 C1 C15 C20 -54.9(2) .
C21 C1 C15 C20 124.55(14) .
C2 C1 C15 C16 126.05(15) .
C21 C1 C15 C16 -54.45(18) .
C20 C15 C16 C17 2.5(2) .
C1 C15 C16 C17 -178.50(14) .
C15 C16 C17 C18 -1.7(2) .
C16 C17 C18 F3 -179.27(14) .
C16 C17 C18 C19 -0.3(2) .
F3 C18 C19 C20 -179.53(13) .
C17 C18 C19 C20 1.5(2) .
C18 C19 C20 C15 -0.7(2) .
C16 C15 C20 C19 -1.2(2) .
C1 C15 C20 C19 179.73(13) .
C2 C1 C21 C26 -54.7(2) .
C15 C1 C21 C26 125.84(15) .
C2 C1 C21 C22 127.42(16) .
C15 C1 C21 C22 -52.06(19) .
C26 C21 C22 C23 1.6(2) .
C1 C21 C22 C23 179.58(16) .
C21 C22 C23 C24 -1.6(3) .
C22 C23 C24 C25 0.2(3) .
C22 C23 C24 F4 -179.63(17) .
F4 C24 C25 C26 -179.04(15) .
C23 C24 C25 C26 1.2(3) .
C22 C21 C26 C25 -0.2(2) .
C1 C21 C26 C25 -178.15(14) .
C24 C25 C26 C21 -1.1(2) .
C32 C27 C28 C29 1.5(3) .
C33 C27 C28 C29 -176.92(19) .
C27 C28 C29 C30 -0.6(3) .
C28 C29 C30 C31 -0.7(3) .
C28 C29 C30 C34 179.39(19) .
C29 C30 C31 C32 1.2(2) .
C34 C30 C31 C32 -178.92(17) .
C30 C31 C32 C27 -0.3(3) .
C28 C27 C32 C31 -1.0(3) .
C33 C27 C32 C31 177.39(18) .
C37 C35 C36 C37 -0.4(3) 2_656
C38 C35 C36 C37 179.76(17) 2_656
C36 C35 C37 C36 0.4(3) 2_656
C38 C35 C37 C36 -179.76(17) 2_656
