#------------------------------------------------------------------------------
#$Date: 2018-09-20 05:15:26 +0300 (Thu, 20 Sep 2018) $
#$Revision: 211082 $
#$URL: file:///home/coder/svn-repositories/cod/cif/2/10/82/2108287.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided by IUCr Journals, http://journals.iucr.org/.
#
# 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_2108287
loop_
_publ_author_name
'Sonina, Alina A.'
'Koskin, Igor P.'
'Sherin, Peter S.'
'Rybalova, Tatyana V.'
'Shundrina, Inna K.'
'Mostovich, Evgeny A.'
'Kazantsev, Maxim S.'
_publ_section_title
;
 Crystal packing control of a trifluoromethyl-substituted furan/phenylene
 co-oligomer
;
_journal_coeditor_code           UM5015
_journal_issue                   5
_journal_name_full               'Acta Crystallographica Section B'
_journal_page_first
;
;
_journal_paper_doi               10.1107/S2052520618011782
_journal_volume                  74
_journal_year                    2018
_chemical_formula_sum            'C28 H16 F6 O2'
_chemical_formula_weight         498.41
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_Hall           '-P 2ybc'
_space_group_name_H-M_alt        'P 1 21/c 1'
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_atom_sites_solution_hydrogens   geom
_audit_creation_method           SHELXL-2017/1
_cell_angle_alpha                90
_cell_angle_beta                 106.649(3)
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   20.5435(12)
_cell_length_b                   6.2569(3)
_cell_length_c                   35.797(2)
_cell_measurement_reflns_used    4952
_cell_measurement_temperature    296(2)
_cell_measurement_theta_max      22.66
_cell_measurement_theta_min      2.30
_cell_volume                     4408.4(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-2017/1 (Sheldrick, 2017)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      296(2)
_diffrn_measured_fraction_theta_full 0.993
_diffrn_measured_fraction_theta_max 0.993
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_source         'sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0933
_diffrn_reflns_av_unetI/netI     0.0717
_diffrn_reflns_Laue_measured_fraction_full 0.993
_diffrn_reflns_Laue_measured_fraction_max 0.993
_diffrn_reflns_limit_h_max       24
_diffrn_reflns_limit_h_min       -24
_diffrn_reflns_limit_k_max       7
_diffrn_reflns_limit_k_min       -7
_diffrn_reflns_limit_l_max       42
_diffrn_reflns_limit_l_min       -42
_diffrn_reflns_number            50500
_diffrn_reflns_point_group_measured_fraction_full 0.993
_diffrn_reflns_point_group_measured_fraction_max 0.993
_diffrn_reflns_theta_full        25.027
_diffrn_reflns_theta_max         25.027
_diffrn_reflns_theta_min         2.665
_exptl_absorpt_coefficient_mu    0.128
_exptl_absorpt_correction_T_max  0.8620
_exptl_absorpt_correction_T_min  0.7188
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   SADABS-2008/1
_exptl_crystal_colour            green
_exptl_crystal_density_diffrn    1.502
_exptl_crystal_description       needle
_exptl_crystal_F_000             2032
_exptl_crystal_size_max          1.00
_exptl_crystal_size_mid          0.12
_exptl_crystal_size_min          0.02
_refine_diff_density_max         0.171
_refine_diff_density_min         -0.155
_refine_diff_density_rms         0.041
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.022
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     757
_refine_ls_number_reflns         7760
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.022
_refine_ls_R_factor_all          0.1570
_refine_ls_R_factor_gt           0.0581
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0583P)²+0.3399P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1158
_refine_ls_wR_factor_ref         0.1503
_reflns_Friedel_coverage         0.000
_reflns_number_gt                3612
_reflns_number_total             7760
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            um5015sup1.cif
_cod_data_source_block           III
_cod_database_code               2108287
_shelx_shelxl_version_number     2017/1
_shelx_space_group_comment
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
loop_
_space_group_symop_operation_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_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
F2 F 0.1566(6) -0.4279(16) 0.7220(3) 0.096(3) Uani 0.5 1 d . . P
F3 F 0.2076(5) -0.374(2) 0.6819(2) 0.099(5) Uani 0.5 1 d . . P
F1 F 0.1322(6) -0.1632(19) 0.6852(5) 0.132(6) Uani 0.5 1 d . . P
F5 F 0.1287(6) -0.317(3) 0.7160(3) 0.151(6) Uani 0.5 1 d . . P
F6 F 0.2039(6) -0.441(2) 0.6932(5) 0.196(8) Uani 0.5 1 d . . P
F4 F 0.1564(7) -0.156(3) 0.6747(4) 0.130(6) Uani 0.5 1 d . . P
F1' F 1.0875(7) 0.195(3) 1.1328(5) 0.104(5) Uani 0.5 1 d . . P
F2' F 1.0328(11) 0.211(4) 1.1709(4) 0.111(6) Uani 0.5 1 d . . P
F3' F 1.0235(8) 0.459(3) 1.1327(5) 0.129(7) Uani 0.5 1 d . . P
F4' F 1.0831(8) 0.154(3) 1.1443(6) 0.148(8) Uani 0.5 1 d . . P
F5' F 1.0141(12) 0.283(4) 1.1719(6) 0.125(7) Uani 0.5 1 d . . P
F6' F 1.0362(8) 0.437(2) 1.1232(4) 0.109(6) Uani 0.5 1 d . . P
F2A F 0.0079(5) 0.288(3) 0.8009(5) 0.124(4) Uani 0.5 1 d . . P
F3A F 0.0730(7) 0.0483(14) 0.7941(5) 0.117(6) Uani 0.5 1 d . . P
F1A F 0.0549(7) 0.308(2) 0.7573(2) 0.102(3) Uani 0.5 1 d . . P
F5A F 0.0261(8) 0.159(4) 0.8135(3) 0.150(8) Uani 0.5 1 d . . P
F4A F 0.0217(7) 0.3696(17) 0.7702(5) 0.133(4) Uani 0.5 1 d . . P
F6A F 0.0846(6) 0.105(4) 0.7766(8) 0.202(10) Uani 0.5 1 d . . P
O1' O 0.75369(9) -0.0632(3) 1.00652(5) 0.0459(5) Uani 1 1 d . . .
O1 O 0.43589(9) 0.0604(3) 0.84618(5) 0.0499(5) Uani 1 1 d . . .
O1B O 0.83778(10) 0.4372(3) 0.92245(5) 0.0511(5) Uani 1 1 d . . .
O1A O 0.33691(9) 0.5692(3) 0.92370(5) 0.0466(5) Uani 1 1 d . . .
C14' C 1.0270(2) 0.2494(7) 1.13639(12) 0.0659(9) Uani 1 1 d . . .
C1' C 0.96989(15) 0.1340(5) 1.10819(8) 0.0495(8) Uani 1 1 d . . .
C2' C 0.90668(14) 0.2287(5) 1.09538(8) 0.0499(8) Uani 1 1 d . . .
H2' H 0.899506 0.362249 1.104884 0.060 Uiso 1 1 calc R U .
C3' C 0.85428(14) 0.1268(5) 1.06868(8) 0.0471(7) Uani 1 1 d . . .
H3' H 0.811932 0.192206 1.060261 0.057 Uiso 1 1 calc R U .
C4' C 0.86394(14) -0.0735(5) 1.05409(8) 0.0437(7) Uani 1 1 d . . .
C5' C 0.81039(14) -0.1823(5) 1.02478(8) 0.0444(7) Uani 1 1 d . . .
C6' C 0.71217(14) -0.1906(5) 0.97814(8) 0.0462(7) Uani 1 1 d . . .
C7' C 0.65115(14) -0.0932(5) 0.95295(8) 0.0457(8) Uani 1 1 d . . .
C8' C 0.61402(15) -0.1987(5) 0.91921(9) 0.0530(8) Uani 1 1 d . . .
H8' H 0.628376 -0.332471 0.913426 0.064 Uiso 1 1 calc R U .
C9' C 0.55674(14) -0.1095(5) 0.89433(8) 0.0496(8) Uani 1 1 d . . .
H9' H 0.532493 -0.185232 0.872400 0.060 Uiso 1 1 calc R U .
C7 C 0.53445(14) 0.0923(5) 0.90144(8) 0.0442(7) Uani 1 1 d . . .
C6 C 0.47441(15) 0.1899(5) 0.87552(8) 0.0474(8) Uani 1 1 d . . .
C5 C 0.38002(14) 0.1763(5) 0.82620(8) 0.0491(8) Uani 1 1 d . . .
C4 C 0.33056(14) 0.0648(5) 0.79488(8) 0.0497(8) Uani 1 1 d . . .
C11 C 0.26693(16) 0.1535(5) 0.77766(9) 0.0624(9) Uani 1 1 d . . .
H11 H 0.256215 0.286360 0.785946 0.075 Uiso 1 1 calc R U .
C10 C 0.21935(15) 0.0466(6) 0.74835(9) 0.0659(9) Uani 1 1 d . . .
H10 H 0.177089 0.108196 0.737019 0.079 Uiso 1 1 calc R U .
C1 C 0.23443(15) -0.1511(5) 0.73589(8) 0.0532(8) Uani 1 1 d . . .
C14 C 0.1821(2) -0.2720(7) 0.70584(12) 0.0650(9) Uani 1 1 d . . .
C13 C 0.44382(16) 0.3814(5) 0.87351(9) 0.0586(9) Uani 1 1 d . . .
H13 H 0.459453 0.497935 0.889733 0.070 Uiso 1 1 calc R U .
C12 C 0.38389(16) 0.3729(5) 0.84235(9) 0.0609(9) Uani 1 1 d . . .
H12 H 0.352525 0.482851 0.834295 0.073 Uiso 1 1 calc R U .
C12' C 0.80341(15) -0.3792(5) 1.00886(9) 0.0559(8) Uani 1 1 d . . .
H12' H 0.834286 -0.491028 1.016110 0.067 Uiso 1 1 calc R U .
C13' C 0.74123(16) -0.3856(5) 0.97937(9) 0.0563(8) Uani 1 1 d . . .
H13' H 0.723369 -0.502123 0.963639 0.068 Uiso 1 1 calc R U .
C10' C 0.98025(15) -0.0672(5) 1.09448(9) 0.0556(8) Uani 1 1 d . . .
H10' H 1.022454 -0.133065 1.103444 0.067 Uiso 1 1 calc R U .
C11' C 0.92788(15) -0.1688(4) 1.06760(8) 0.0528(8) Uani 1 1 d . . .
H11' H 0.935174 -0.302842 1.058300 0.063 Uiso 1 1 calc R U .
C9 C 0.62855(14) 0.1078(5) 0.96047(8) 0.0484(8) Uani 1 1 d . . .
H9 H 0.652162 0.181628 0.982786 0.058 Uiso 1 1 calc R U .
C8 C 0.57179(14) 0.1985(5) 0.93532(8) 0.0512(8) Uani 1 1 d . . .
H8 H 0.557845 0.333215 0.940888 0.061 Uiso 1 1 calc R U .
C3 C 0.34516(15) -0.1331(5) 0.78177(9) 0.0570(8) Uani 1 1 d . . .
H3 H 0.387560 -0.194745 0.792677 0.068 Uiso 1 1 calc R U .
C2 C 0.29755(14) -0.2391(5) 0.75279(9) 0.0577(8) Uani 1 1 d . . .
H2 H 0.308069 -0.372138 0.744474 0.069 Uiso 1 1 calc R U .
C14B C 0.5713(2) 0.7464(8) 0.78711(13) 0.0738(10) Uani 1 1 d . . .
C1B C 0.62628(15) 0.6310(5) 0.81660(9) 0.0564(8) Uani 1 1 d . . .
C10B C 0.61485(16) 0.4342(6) 0.83077(10) 0.0645(9) Uani 1 1 d . . .
H10B H 0.572512 0.369954 0.821223 0.077 Uiso 1 1 calc R U .
C11B C 0.66498(16) 0.3311(5) 0.85882(9) 0.0617(9) Uani 1 1 d . . .
H11B H 0.656246 0.198309 0.868011 0.074 Uiso 1 1 calc R U .
C4B C 0.72881(14) 0.4246(5) 0.87353(8) 0.0469(8) Uani 1 1 d . . .
C5B C 0.78112(15) 0.3189(5) 0.90387(8) 0.0493(8) Uani 1 1 d . . .
C6B C 0.87887(15) 0.3094(5) 0.95090(8) 0.0494(8) Uani 1 1 d . . .
C7B C 0.94029(14) 0.4073(5) 0.97537(8) 0.0479(8) Uani 1 1 d . . .
C9B C 0.96149(15) 0.6107(5) 0.96776(8) 0.0525(8) Uani 1 1 d . . .
H9B H 0.935986 0.686357 0.946149 0.063 Uiso 1 1 calc R U .
C8B C 0.98052(15) 0.2996(5) 1.00824(9) 0.0555(8) Uani 1 1 d . . .
H8B H 0.967608 0.163841 1.013947 0.067 Uiso 1 1 calc R U .
F2B F 0.5819(10) 0.767(4) 0.7553(3) 0.149(7) Uani 0.5 1 d . . P
F3B F 0.5620(8) 0.9367(16) 0.8002(3) 0.095(3) Uani 0.5 1 d . . P
F1B F 0.5105(5) 0.6623(19) 0.7826(7) 0.136(7) Uani 0.5 1 d . . P
F6B F 0.5923(6) 0.920(3) 0.7726(9) 0.182(8) Uani 0.5 1 d . . P
F5B F 0.5488(9) 0.637(2) 0.7550(4) 0.131(5) Uani 0.5 1 d . . P
F4B F 0.5209(10) 0.787(6) 0.7968(4) 0.201(10) Uani 0.5 1 d . . P
C3B C 0.74049(15) 0.6219(5) 0.85872(9) 0.0558(8) Uani 1 1 d . . .
H3B H 0.783076 0.685414 0.867638 0.067 Uiso 1 1 calc R U .
C2B C 0.68961(15) 0.7237(5) 0.83104(9) 0.0606(9) Uani 1 1 d . . .
H2B H 0.697887 0.857112 0.821877 0.073 Uiso 1 1 calc R U .
C12B C 0.78757(16) 0.1208(5) 0.91983(9) 0.0608(9) Uani 1 1 d . . .
H12B H 0.756827 0.008785 0.912385 0.073 Uiso 1 1 calc R U .
C13B C 0.84916(17) 0.1160(5) 0.94967(9) 0.0607(9) Uani 1 1 d . . .
H13B H 0.866446 0.000185 0.965741 0.073 Uiso 1 1 calc R U .
C14A C 0.0646(2) 0.2526(8) 0.79493(12) 0.0688(10) Uani 1 1 d . . .
C1A C 0.12241(14) 0.3700(5) 0.82114(8) 0.0496(8) Uani 1 1 d . . .
C2A C 0.15966(14) 0.2766(5) 0.85543(8) 0.0518(8) Uani 1 1 d . . .
H2A H 0.147294 0.142394 0.862241 0.062 Uiso 1 1 calc R U .
C3A C 0.21492(14) 0.3792(5) 0.87976(8) 0.0491(8) Uani 1 1 d . . .
H3A H 0.239207 0.314324 0.902938 0.059 Uiso 1 1 calc R U .
C4A C 0.23480(14) 0.5793(5) 0.86997(8) 0.0444(7) Uani 1 1 d . . .
C5A C 0.29430(14) 0.6883(5) 0.89440(8) 0.0470(8) Uani 1 1 d . . .
C6A C 0.39173(14) 0.6962(5) 0.94160(8) 0.0441(7) Uani 1 1 d . . .
C7A C 0.44596(13) 0.5967(5) 0.97145(7) 0.0417(7) Uani 1 1 d . . .
C8A C 0.50857(15) 0.6983(4) 0.98529(8) 0.0481(8) Uani 1 1 d . . .
H8A H 0.514856 0.831933 0.975491 0.058 Uiso 1 1 calc R U .
C9A C 0.43861(14) 0.3953(4) 0.98676(8) 0.0454(7) Uani 1 1 d . . .
H9A H 0.397422 0.323411 0.977924 0.054 Uiso 1 1 calc R U .
C11A C 0.19665(15) 0.6744(5) 0.83537(8) 0.0556(8) Uani 1 1 d . . .
H11A H 0.208967 0.808427 0.828429 0.067 Uiso 1 1 calc R U .
C10A C 0.14077(15) 0.5714(5) 0.81132(9) 0.0601(9) Uani 1 1 d . . .
H10A H 0.115364 0.637138 0.788495 0.072 Uiso 1 1 calc R U .
C13A C 0.38293(15) 0.8912(5) 0.92473(9) 0.0547(8) Uani 1 1 d . . .
H13A H 0.412182 1.007295 0.931664 0.066 Uiso 1 1 calc R U .
C12A C 0.32104(15) 0.8860(5) 0.89460(9) 0.0565(8) Uani 1 1 d . . .
H12A H 0.302130 0.998073 0.877946 0.068 Uiso 1 1 calc R U .
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'
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
F5 F2 C14 67.9(11) .
F5 F2 F6 110.6(17) .
C14 F2 F6 50.8(7) .
F6 F3 C14 75.5(18) .
F6 F3 F4 118(2) .
C14 F3 F4 49.6(6) .
F4 F1 C14 76.8(18) .
F4 F1 F5 129(2) .
C14 F1 F5 54.9(6) .
F2 F5 C14 72.2(13) .
F2 F5 F1 121.5(18) .
C14 F5 F1 54.4(6) .
F3 F6 C14 77(2) .
F3 F6 F2 127(2) .
C14 F6 F2 52.7(6) .
F1 F4 C14 71.5(18) .
F1 F4 F3 112(2) .
C14 F4 F3 48.9(6) .
F4' F1' C14' 70(3) .
F5' F2' C14' 92(4) .
F5' F2' F4' 136(5) .
C14' F2' F4' 49.5(9) .
F6' F3' C14' 77(3) .
F1' F4' C14' 87(4) .
F1' F4' F2' 130(4) .
C14' F4' F2' 48.3(9) .
F2' F5' C14' 62(3) .
F3' F6' C14' 81(3) .
F5A F2A C14A 70.8(10) .
F5A F2A F4A 125.2(14) .
C14A F2A F4A 59.7(5) .
F6A F3A C14A 69.9(14) .
F6A F3A F5A 121.4(18) .
C14A F3A F5A 55.0(5) .
F4A F1A C14A 64.1(8) .
F4A F1A F6A 110.8(13) .
C14A F1A F6A 52.8(7) .
F2A F5A C14A 65.9(9) .
F2A F5A F3A 113.0(13) .
C14A F5A F3A 54.0(7) .
F1A F4A C14A 71.0(10) .
F1A F4A F2A 125.0(15) .
C14A F4A F2A 58.2(6) .
F3A F6A C14A 73.1(15) .
F3A F6A F1A 124.0(19) .
C14A F6A F1A 58.0(8) .
C6' O1' C5' 107.3(2) .
C5 O1 C6 107.3(2) .
C6B O1B C5B 107.4(2) .
C5A O1A C6A 107.4(2) .
F2' C14' F4' 82.2(13) .
F2' C14' F6' 124.0(13) .
F4' C14' F6' 106.9(11) .
F2' C14' F3' 106.3(14) .
F4' C14' F3' 121.1(12) .
F6' C14' F3' 22.3(14) .
F2' C14' F1' 102.9(13) .
F4' C14' F1' 22.6(14) .
F6' C14' F1' 87.7(12) .
F3' C14' F1' 105.9(11) .
F2' C14' F5' 25.6(17) .
F4' C14' F5' 105.7(13) .
F6' C14' F5' 106.3(14) .
F3' C14' F5' 85.4(13) .
F1' C14' F5' 123.9(12) .
F2' C14' C1' 114.5(11) .
F4' C14' C1' 114.5(10) .
F6' C14' C1' 111.0(8) .
F3' C14' C1' 113.7(7) .
F1' C14' C1' 112.6(10) .
F5' C14' C1' 111.9(12) .
C2' C1' C10' 119.7(3) .
C2' C1' C14' 119.9(3) .
C10' C1' C14' 120.4(3) .
C3' C2' C1' 120.5(3) .
C2' C3' C4' 120.7(3) .
C3' C4' C11' 118.4(3) .
C3' C4' C5' 122.1(3) .
C11' C4' C5' 119.5(3) .
C12' C5' O1' 108.7(3) .
C12' C5' C4' 134.4(3) .
O1' C5' C4' 116.8(3) .
C13' C6' O1' 108.9(3) .
C13' C6' C7' 133.8(3) .
O1' C6' C7' 117.2(3) .
C9 C7' C8' 117.7(3) .
C9 C7' C6' 122.3(3) .
C8' C7' C6' 120.0(3) .
C9' C8' C7' 121.5(3) .
C8' C9' C7 121.0(3) .
C9' C7 C8 117.5(3) .
C9' C7 C6 122.0(3) .
C8 C7 C6 120.6(3) .
C13 C6 O1 108.9(3) .
C13 C6 C7 135.1(3) .
O1 C6 C7 115.9(3) .
C12 C5 O1 108.6(3) .
C12 C5 C4 135.0(3) .
O1 C5 C4 116.3(3) .
C3 C4 C11 118.2(3) .
C3 C4 C5 121.1(3) .
C11 C4 C5 120.6(3) .
C10 C11 C4 120.9(3) .
C1 C10 C11 120.2(3) .
C2 C1 C10 119.1(3) .
C2 C1 C14 120.5(3) .
C10 C1 C14 120.4(3) .
F1 C14 F5 70.8(7) .
F1 C14 F6 122.8(9) .
F5 C14 F6 109.5(9) .
F1 C14 F3 106.9(9) .
F5 C14 F3 128.6(9) .
F6 C14 F3 27.1(11) .
F1 C14 F4 31.6(9) .
F5 C14 F4 101.2(8) .
F6 C14 F4 104.8(11) .
F3 C14 F4 81.5(9) .
F1 C14 F2 107.2(8) .
F5 C14 F2 39.9(7) .
F6 C14 F2 76.6(9) .
F3 C14 F2 102.4(8) .
F4 C14 F2 132.2(7) .
F1 C14 C1 116.2(7) .
F5 C14 C1 113.9(6) .
F6 C14 C1 114.9(6) .
F3 C14 C1 112.4(5) .
F4 C14 C1 111.3(8) .
F2 C14 C1 110.7(6) .
C6 C13 C12 107.3(3) .
C5 C12 C13 107.7(3) .
C5' C12' C13' 107.9(3) .
C6' C13' C12' 107.2(3) .
C11' C10' C1' 119.8(3) .
C10' C11' C4' 120.9(3) .
C8 C9 C7' 120.9(3) .
C9 C8 C7 121.4(3) .
C2 C3 C4 120.6(3) .
C3 C2 C1 121.0(3) .
F4B C14B F2B 129.7(7) .
F4B C14B F5B 104.4(11) .
F2B C14B F5B 49.3(8) .
F4B C14B F3B 58.8(14) .
F2B C14B F3B 108.7(9) .
F5B C14B F3B 137.8(7) .
F4B C14B F1B 42.5(13) .
F2B C14B F1B 109.9(9) .
F5B C14B F1B 66.4(6) .
F3B C14B F1B 100.1(7) .
F4B C14B F6B 109.9(11) .
F2B C14B F6B 52.2(7) .
F5B C14B F6B 99.1(9) .
F3B C14B F6B 59.7(10) .
F1B C14B F6B 132.8(8) .
F4B C14B C1B 115.8(6) .
F2B C14B C1B 114.1(5) .
F5B C14B C1B 112.0(6) .
F3B C14B C1B 110.1(5) .
F1B C14B C1B 113.0(7) .
F6B C14B C1B 114.0(5) .
C10B C1B C2B 118.6(3) .
C10B C1B C14B 121.3(4) .
C2B C1B C14B 120.1(4) .
C11B C10B C1B 121.1(3) .
C10B C11B C4B 120.4(3) .
C3B C4B C11B 118.3(3) .
C3B C4B C5B 121.2(3) .
C11B C4B C5B 120.4(3) .
C12B C5B O1B 108.7(3) .
C12B C5B C4B 134.0(3) .
O1B C5B C4B 117.3(3) .
C13B C6B O1B 108.7(3) .
C13B C6B C7B 134.9(3) .
O1B C6B C7B 116.4(3) .
C9B C7B C8B 117.4(3) .
C9B C7B C6B 122.2(3) .
C8B C7B C6B 120.4(3) .
C8B C9B C7B 120.9(3) 3_767
C9B C8B C7B 121.7(3) 3_767
F5B F2B F6B 132.9(16) .
F5B F2B C14B 69.2(9) .
F6B F2B C14B 68.6(8) .
F4B F3B C14B 56.4(7) .
F4B F3B F6B 108.7(9) .
C14B F3B F6B 60.7(6) .
F4B F1B C14B 62.3(12) .
F4B F1B F5B 112.8(18) .
C14B F1B F5B 56.2(6) .
F2B F6B F3B 115.1(14) .
F2B F6B C14B 59.2(7) .
F3B F6B C14B 59.6(8) .
F2B F5B C14B 61.4(7) .
F2B F5B F1B 112.5(12) .
C14B F5B F1B 57.4(7) .
F1B F4B C14B 75.2(11) .
F1B F4B F3B 137.3(16) .
C14B F4B F3B 64.8(10) .
C2B C3B C4B 120.5(3) .
C3B C2B C1B 121.0(3) .
C5B C12B C13B 107.4(3) .
C6B C13B C12B 107.8(3) .
F2A C14A F6A 131.9(8) .
F2A C14A F4A 62.0(6) .
F6A C14A F4A 108.7(9) .
F2A C14A F3A 108.4(8) .
F6A C14A F3A 37.0(11) .
F4A C14A F3A 128.3(7) .
F2A C14A F5A 43.3(6) .
F6A C14A F5A 105.7(10) .
F4A C14A F5A 102.1(7) .
F3A C14A F5A 70.9(8) .
F2A C14A F1A 104.2(7) .
F6A C14A F1A 69.2(11) .
F4A C14A F1A 44.9(6) .
F3A C14A F1A 102.2(8) .
F5A C14A F1A 133.2(6) .
F2A C14A C1A 114.6(5) .
F6A C14A C1A 111.7(7) .
F4A C14A C1A 114.9(5) .
F3A C14A C1A 114.6(5) .
F5A C14A C1A 113.1(6) .
F1A C14A C1A 111.6(5) .
C2A C1A C10A 119.3(3) .
C2A C1A C14A 119.6(3) .
C10A C1A C14A 121.1(3) .
C3A C2A C1A 120.9(3) .
C2A C3A C4A 120.6(3) .
C3A C4A C11A 118.4(3) .
C3A C4A C5A 121.8(3) .
C11A C4A C5A 119.7(3) .
C12A C5A O1A 108.8(3) .
C12A C5A C4A 134.7(3) .
O1A C5A C4A 116.5(3) .
C13A C6A O1A 109.1(3) .
C13A C6A C7A 134.1(3) .
O1A C6A C7A 116.7(3) .
C8A C7A C9A 117.7(3) .
C8A C7A C6A 120.3(3) .
C9A C7A C6A 122.1(3) .
C9A C8A C7A 121.3(3) 3_667
C8A C9A C7A 121.1(3) 3_667
C10A C11A C4A 120.6(3) .
C11A C10A C1A 120.2(3) .
C6A C13A C12A 107.3(3) .
C5A C12A C13A 107.5(3) .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
F2 F5 0.887(15) .
F2 C14 1.318(10) .
F2 F6 1.61(2) .
F3 F6 0.60(2) .
F3 C14 1.294(10) .
F3 F4 1.698(19) .
F1 F4 0.70(2) .
F1 C14 1.274(11) .
F1 F5 1.480(16) .
F5 C14 1.282(11) .
F6 C14 1.283(12) .
F4 C14 1.308(13) .
F1' F4' 0.51(3) .
F1' C14' 1.331(14) .
F2' F5' 0.60(4) .
F2' C14' 1.231(16) .
F2' F4' 1.63(2) .
F3' F6' 0.51(3) .
F3' C14' 1.317(16) .
F4' C14' 1.255(15) .
F5' C14' 1.388(18) .
F6' C14' 1.297(14) .
F2A F5A 0.949(12) .
F2A C14A 1.264(9) .
F2A F4A 1.313(12) .
F3A F6A 0.81(2) .
F3A C14A 1.292(11) .
F3A F5A 1.508(16) .
F1A F4A 1.008(12) .
F1A C14A 1.350(9) .
F1A F6A 1.49(2) .
F5A C14A 1.308(10) .
F4A C14A 1.284(8) .
F6A C14A 1.268(13) .
O1' C6' 1.378(3) .
O1' C5' 1.380(3) .
O1 C5 1.373(3) .
O1 C6 1.382(3) .
O1B C6B 1.377(3) .
O1B C5B 1.379(3) .
O1A C5A 1.377(3) .
O1A C6A 1.377(3) .
C14' C1' 1.496(4) .
C1' C2' 1.381(3) .
C1' C10' 1.390(4) .
C2' C3' 1.374(3) .
C3' C4' 1.394(4) .
C4' C11' 1.397(3) .
C4' C5' 1.454(4) .
C5' C12' 1.348(4) .
C6' C13' 1.354(4) .
C6' C7' 1.452(4) .
C7' C9 1.393(3) .
C7' C8' 1.396(4) .
C8' C9' 1.374(4) .
C9' C7 1.391(4) .
C7 C8 1.402(4) .
C7 C6 1.449(4) .
C6 C13 1.346(4) .
C5 C12 1.352(4) .
C5 C4 1.457(4) .
C4 C3 1.387(4) .
C4 C11 1.391(4) .
C11 C10 1.384(4) .
C10 C1 1.380(4) .
C1 C2 1.379(4) .
C1 C14 1.491(4) .
C13 C12 1.406(4) .
C12' C13' 1.405(4) .
C10' C11' 1.376(4) .
C9 C8 1.375(3) .
C3 C2 1.375(4) .
C14B F4B 1.210(9) .
C14B F2B 1.226(9) .
C14B F5B 1.305(10) .
C14B F3B 1.314(8) .
C14B F1B 1.322(11) .
C14B F6B 1.329(10) .
C14B C1B 1.493(4) .
C1B C10B 1.377(4) .
C1B C2B 1.383(4) .
C10B C11B 1.376(4) .
C11B C4B 1.394(4) .
C4B C3B 1.391(4) .
C4B C5B 1.450(4) .
C5B C12B 1.355(4) .
C6B C13B 1.350(4) .
C6B C7B 1.450(4) .
C7B C9B 1.397(4) .
C7B C8B 1.401(4) .
C9B C8B 1.373(4) 3_767
F2B F5B 1.059(16) .
F2B F6B 1.127(13) .
F3B F4B 1.24(3) .
F3B F6B 1.32(2) .
F1B F4B 0.92(3) .
F1B F5B 1.439(15) .
C3B C2B 1.374(4) .
C12B C13B 1.403(4) .
C14A C1A 1.481(4) .
C1A C2A 1.377(3) .
C1A C10A 1.389(4) .
C2A C3A 1.376(4) .
C3A C4A 1.393(4) .
C4A C11A 1.395(4) .
C4A C5A 1.453(4) .
C5A C12A 1.353(4) .
C6A C13A 1.350(4) .
C6A C7A 1.445(4) .
C7A C8A 1.392(3) .
C7A C9A 1.400(4) .
C8A C9A 1.378(3) 3_667
C11A C10A 1.381(4) .
C13A C12A 1.413(4) .

_cod_database_fobs_code 2108287
