#------------------------------------------------------------------------------
#$Date: 2016-02-18 17:37:37 +0200 (Thu, 18 Feb 2016) $
#$Revision: 176729 $
#$URL: svn://www.crystallography.net/cod/cif/1/50/51/1505124.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_1505124
loop_
_publ_author_name
'Woody, Kathy B.'
'Bullock, Joseph E.'
'Parkin, Sean R.'
'Watson, Mark D.'
_publ_section_title
;
 Alternating Arene−Perfluoroarene Poly(phenylene ethynylenes)
;
_journal_issue                   13
_journal_name_full               Macromolecules
_journal_page_first              4470
_journal_paper_doi               10.1021/ma062667x
_journal_volume                  40
_journal_year                    2007
_chemical_formula_sum            'C70 H100 F10 O4'
_chemical_formula_weight         1195.50
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           2
_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                92.9600(5)
_cell_angle_beta                 96.2200(5)
_cell_angle_gamma                94.3450(5)
_cell_formula_units_Z            1
_cell_length_a                   7.47600(10)
_cell_length_b                   10.07500(10)
_cell_length_c                   21.8710(3)
_cell_measurement_temperature    90(2)
_cell_volume                     1629.96(4)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      90(2)
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.997
_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  0.0222
_diffrn_reflns_av_sigmaI/netI    0.0341
_diffrn_reflns_limit_h_max       9
_diffrn_reflns_limit_h_min       -9
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       28
_diffrn_reflns_limit_l_min       -28
_diffrn_reflns_number            14892
_diffrn_reflns_theta_full        27.49
_diffrn_reflns_theta_max         27.49
_diffrn_reflns_theta_min         1.88
_exptl_absorpt_coefficient_mu    0.093
_exptl_absorpt_correction_T_max  0.9817
_exptl_absorpt_correction_T_min  0.9727
_exptl_crystal_density_diffrn    1.218
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             642
_exptl_crystal_size_max          0.30
_exptl_crystal_size_mid          0.25
_exptl_crystal_size_min          0.20
_refine_diff_density_max         0.370
_refine_diff_density_min         -0.288
_refine_diff_density_rms         0.072
_refine_ls_extinction_coef       0.019(3)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_extinction_method     SHELXL
_refine_ls_goodness_of_fit_ref   1.057
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     382
_refine_ls_number_reflns         7465
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.057
_refine_ls_R_factor_all          0.0608
_refine_ls_R_factor_gt           0.0429
_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)+(0.0817P)²+0.0644P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1205
_refine_ls_wR_factor_ref         0.1329
_reflns_number_gt                5630
_reflns_number_total             7465
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ma062667xsi20061120_093618.cif
_cod_data_source_block           k04139
_cod_database_code               1505124
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
O1 O 0.86210(10) 0.10027(7) -0.10939(3) 0.01948(18) Uani 1 1 d .
O2 O 1.02259(10) 0.15453(7) 0.10923(3) 0.01929(18) Uani 1 1 d .
F1 F 0.83610(10) 0.53463(7) 0.10997(3) 0.03243(19) Uani 1 1 d .
F2 F 0.72441(10) 0.78343(7) 0.10773(3) 0.03204(19) Uani 1 1 d .
F3 F 0.58329(10) 0.87544(6) -0.00009(3) 0.03174(19) Uani 1 1 d .
F4 F 0.55012(10) 0.71742(7) -0.10551(3) 0.0358(2) Uani 1 1 d .
F5 F 0.66259(10) 0.46856(7) -0.10356(3) 0.03227(19) Uani 1 1 d .
C1 C 0.93273(14) 0.12572(10) 0.00092(5) 0.0169(2) Uani 1 1 d .
C2 C 0.92727(14) 0.05008(10) -0.05514(5) 0.0176(2) Uani 1 1 d .
C3 C 1.00693(14) 0.07504(11) 0.05592(5) 0.0176(2) Uani 1 1 d .
C4 C 0.86655(14) 0.25520(11) 0.00238(5) 0.0191(2) Uani 1 1 d .
C5 C 0.81350(14) 0.36390(11) 0.00351(5) 0.0209(2) Uani 1 1 d .
C6 C 0.75314(14) 0.49512(10) 0.00307(5) 0.0198(2) Uani 1 1 d .
C7 C 0.76620(15) 0.57833(11) 0.05659(5) 0.0227(3) Uani 1 1 d .
C8 C 0.70949(15) 0.70525(11) 0.05582(5) 0.0235(3) Uani 1 1 d .
C9 C 0.63807(15) 0.75200(11) 0.00106(6) 0.0245(3) Uani 1 1 d .
C10 C 0.62286(16) 0.67212(11) -0.05279(5) 0.0250(3) Uani 1 1 d .
C11 C 0.68003(15) 0.54556(11) -0.05135(5) 0.0231(3) Uani 1 1 d .
C12 C 0.66742(15) 0.08034(13) -0.12276(5) 0.0269(3) Uani 1 1 d .
H12A H 0.6091 0.1419 -0.0958 0.032 Uiso 1 1 calc R
H12B H 0.6253 -0.0123 -0.1153 0.032 Uiso 1 1 calc R
C13 C 0.61869(16) 0.10731(12) -0.18949(5) 0.0249(3) Uani 1 1 d .
H13A H 0.6634 0.1997 -0.1964 0.030 Uiso 1 1 calc R
H13B H 0.4856 0.0997 -0.1989 0.030 Uiso 1 1 calc R
C14 C 0.69804(15) 0.01119(11) -0.23297(5) 0.0215(2) Uani 1 1 d .
H14A H 0.6582 -0.0811 -0.2242 0.026 Uiso 1 1 calc R
H14B H 0.8313 0.0220 -0.2245 0.026 Uiso 1 1 calc R
C15 C 0.64561(15) 0.03011(11) -0.30095(5) 0.0207(2) Uani 1 1 d .
H15A H 0.6733 0.1248 -0.3091 0.025 Uiso 1 1 calc R
H15B H 0.5138 0.0089 -0.3109 0.025 Uiso 1 1 calc R
C16 C 0.74424(15) -0.05754(11) -0.34269(5) 0.0211(2) Uani 1 1 d .
H16A H 0.8759 -0.0367 -0.3321 0.025 Uiso 1 1 calc R
H16B H 0.7159 -0.1520 -0.3343 0.025 Uiso 1 1 calc R
C17 C 0.69685(15) -0.04107(11) -0.41114(5) 0.0200(2) Uani 1 1 d .
H17A H 0.7210 0.0539 -0.4195 0.024 Uiso 1 1 calc R
H17B H 0.5662 -0.0655 -0.4222 0.024 Uiso 1 1 calc R
C18 C 0.80260(15) -0.12595(11) -0.45174(5) 0.0200(2) Uani 1 1 d .
H18A H 0.9332 -0.1016 -0.4405 0.024 Uiso 1 1 calc R
H18B H 0.7782 -0.2208 -0.4433 0.024 Uiso 1 1 calc R
C19 C 0.75679(14) -0.11028(10) -0.52042(5) 0.0196(2) Uani 1 1 d .
H19A H 0.7811 -0.0154 -0.5289 0.024 Uiso 1 1 calc R
H19B H 0.6262 -0.1348 -0.5318 0.024 Uiso 1 1 calc R
C20 C 0.86318(15) -0.19538(11) -0.56071(5) 0.0198(2) Uani 1 1 d .
H20A H 0.9937 -0.1702 -0.5495 0.024 Uiso 1 1 calc R
H20B H 0.8398 -0.2901 -0.5518 0.024 Uiso 1 1 calc R
C21 C 0.81731(15) -0.18169(11) -0.62954(5) 0.0210(2) Uani 1 1 d .
H21A H 0.6867 -0.2063 -0.6408 0.025 Uiso 1 1 calc R
H21B H 0.8418 -0.0872 -0.6386 0.025 Uiso 1 1 calc R
C22 C 0.92363(16) -0.26813(12) -0.66918(5) 0.0246(3) Uani 1 1 d .
H22A H 0.9016 -0.3623 -0.6593 0.030 Uiso 1 1 calc R
H22B H 1.0541 -0.2419 -0.6586 0.030 Uiso 1 1 calc R
C23 C 0.87529(19) -0.25751(14) -0.73812(6) 0.0345(3) Uani 1 1 d .
H23A H 0.7482 -0.2888 -0.7496 0.052 Uiso 1 1 calc R
H23B H 0.9516 -0.3125 -0.7608 0.052 Uiso 1 1 calc R
H23C H 0.8950 -0.1643 -0.7483 0.052 Uiso 1 1 calc R
C24 C 0.88370(15) 0.12474(11) 0.14908(5) 0.0199(2) Uani 1 1 d .
H24A H 0.8885 0.0325 0.1624 0.024 Uiso 1 1 calc R
H24B H 0.7627 0.1335 0.1270 0.024 Uiso 1 1 calc R
C25 C 0.91960(15) 0.22338(11) 0.20413(5) 0.0201(2) Uani 1 1 d .
H25A H 0.9011 0.3139 0.1904 0.024 Uiso 1 1 calc R
H25B H 1.0474 0.2229 0.2216 0.024 Uiso 1 1 calc R
C26 C 0.79889(15) 0.19365(11) 0.25449(5) 0.0210(2) Uani 1 1 d .
H26A H 0.6713 0.1992 0.2379 0.025 Uiso 1 1 calc R
H26B H 0.8125 0.1015 0.2669 0.025 Uiso 1 1 calc R
C27 C 0.84499(15) 0.29054(11) 0.31089(5) 0.0203(2) Uani 1 1 d .
H27A H 0.9749 0.2892 0.3254 0.024 Uiso 1 1 calc R
H27B H 0.8245 0.3818 0.2985 0.024 Uiso 1 1 calc R
C28 C 0.73610(14) 0.26010(11) 0.36423(5) 0.0192(2) Uani 1 1 d .
H28A H 0.7536 0.1680 0.3760 0.023 Uiso 1 1 calc R
H28B H 0.6063 0.2645 0.3503 0.023 Uiso 1 1 calc R
C29 C 0.78895(14) 0.35611(10) 0.42076(5) 0.0189(2) Uani 1 1 d .
H29A H 0.9187 0.3514 0.4346 0.023 Uiso 1 1 calc R
H29B H 0.7720 0.4482 0.4088 0.023 Uiso 1 1 calc R
C30 C 0.68078(14) 0.32738(10) 0.47450(5) 0.0179(2) Uani 1 1 d .
H30A H 0.6982 0.2355 0.4866 0.021 Uiso 1 1 calc R
H30B H 0.5509 0.3316 0.4606 0.021 Uiso 1 1 calc R
C31 C 0.73335(14) 0.42400(10) 0.53078(5) 0.0185(2) Uani 1 1 d .
H31A H 0.8630 0.4195 0.5449 0.022 Uiso 1 1 calc R
H31B H 0.7164 0.5159 0.5187 0.022 Uiso 1 1 calc R
C32 C 0.62378(15) 0.39484(11) 0.58420(5) 0.0185(2) Uani 1 1 d .
H32A H 0.4942 0.3995 0.5700 0.022 Uiso 1 1 calc R
H32B H 0.6404 0.3027 0.5961 0.022 Uiso 1 1 calc R
C33 C 0.67484(15) 0.49011(10) 0.64088(5) 0.0195(2) Uani 1 1 d .
H33A H 0.6594 0.5825 0.6291 0.023 Uiso 1 1 calc R
H33B H 0.8039 0.4847 0.6556 0.023 Uiso 1 1 calc R
C34 C 0.56228(16) 0.46018(11) 0.69335(5) 0.0234(3) Uani 1 1 d .
H34A H 0.5777 0.3677 0.7050 0.028 Uiso 1 1 calc R
H34B H 0.4333 0.4655 0.6786 0.028 Uiso 1 1 calc R
C35 C 0.61225(19) 0.55489(13) 0.75037(5) 0.0319(3) Uani 1 1 d .
H35A H 0.7354 0.5425 0.7683 0.048 Uiso 1 1 calc R
H35B H 0.5280 0.5358 0.7807 0.048 Uiso 1 1 calc R
H35C H 0.6055 0.6472 0.7387 0.048 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'
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
C2 O1 C12 113.63(8) . .
C3 O2 C24 114.46(8) . .
C2 C1 C3 119.87(9) . .
C2 C1 C4 120.49(9) . .
C3 C1 C4 119.62(9) . .
O1 C2 C3 119.55(9) . 2_755
O1 C2 C1 120.56(9) . .
C3 C2 C1 119.87(10) 2_755 .
O2 C3 C2 120.91(9) . 2_755
O2 C3 C1 118.72(9) . .
C2 C3 C1 120.25(10) 2_755 .
C5 C4 C1 179.16(12) . .
C4 C5 C6 178.03(12) . .
C11 C6 C7 117.19(10) . .
C11 C6 C5 121.01(10) . .
C7 C6 C5 121.79(10) . .
F1 C7 C8 118.98(10) . .
F1 C7 C6 119.45(10) . .
C8 C7 C6 121.57(10) . .
F2 C8 C7 120.43(11) . .
F2 C8 C9 119.92(10) . .
C7 C8 C9 119.65(11) . .
F3 C9 C8 119.99(10) . .
F3 C9 C10 119.72(10) . .
C8 C9 C10 120.29(10) . .
F4 C10 C11 120.68(11) . .
F4 C10 C9 119.85(10) . .
C11 C10 C9 119.45(10) . .
F5 C11 C10 118.95(10) . .
F5 C11 C6 119.20(10) . .
C10 C11 C6 121.84(10) . .
O1 C12 C13 107.95(9) . .
O1 C12 H12A 110.1 . .
C13 C12 H12A 110.1 . .
O1 C12 H12B 110.1 . .
C13 C12 H12B 110.1 . .
H12A C12 H12B 108.4 . .
C12 C13 C14 112.20(9) . .
C12 C13 H13A 109.2 . .
C14 C13 H13A 109.2 . .
C12 C13 H13B 109.2 . .
C14 C13 H13B 109.2 . .
H13A C13 H13B 107.9 . .
C13 C14 C15 114.26(9) . .
C13 C14 H14A 108.7 . .
C15 C14 H14A 108.7 . .
C13 C14 H14B 108.7 . .
C15 C14 H14B 108.7 . .
H14A C14 H14B 107.6 . .
C14 C15 C16 112.44(9) . .
C14 C15 H15A 109.1 . .
C16 C15 H15A 109.1 . .
C14 C15 H15B 109.1 . .
C16 C15 H15B 109.1 . .
H15A C15 H15B 107.8 . .
C17 C16 C15 114.22(9) . .
C17 C16 H16A 108.7 . .
C15 C16 H16A 108.7 . .
C17 C16 H16B 108.7 . .
C15 C16 H16B 108.7 . .
H16A C16 H16B 107.6 . .
C16 C17 C18 113.12(9) . .
C16 C17 H17A 109.0 . .
C18 C17 H17A 109.0 . .
C16 C17 H17B 109.0 . .
C18 C17 H17B 109.0 . .
H17A C17 H17B 107.8 . .
C19 C18 C17 113.71(9) . .
C19 C18 H18A 108.8 . .
C17 C18 H18A 108.8 . .
C19 C18 H18B 108.8 . .
C17 C18 H18B 108.8 . .
H18A C18 H18B 107.7 . .
C18 C19 C20 113.40(9) . .
C18 C19 H19A 108.9 . .
C20 C19 H19A 108.9 . .
C18 C19 H19B 108.9 . .
C20 C19 H19B 108.9 . .
H19A C19 H19B 107.7 . .
C21 C20 C19 113.94(9) . .
C21 C20 H20A 108.8 . .
C19 C20 H20A 108.8 . .
C21 C20 H20B 108.8 . .
C19 C20 H20B 108.8 . .
H20A C20 H20B 107.7 . .
C22 C21 C20 113.30(9) . .
C22 C21 H21A 108.9 . .
C20 C21 H21A 108.9 . .
C22 C21 H21B 108.9 . .
C20 C21 H21B 108.9 . .
H21A C21 H21B 107.7 . .
C21 C22 C23 113.63(10) . .
C21 C22 H22A 108.8 . .
C23 C22 H22A 108.8 . .
C21 C22 H22B 108.8 . .
C23 C22 H22B 108.8 . .
H22A C22 H22B 107.7 . .
C22 C23 H23A 109.5 . .
C22 C23 H23B 109.5 . .
H23A C23 H23B 109.5 . .
C22 C23 H23C 109.5 . .
H23A C23 H23C 109.5 . .
H23B C23 H23C 109.5 . .
O2 C24 C25 107.03(8) . .
O2 C24 H24A 110.3 . .
C25 C24 H24A 110.3 . .
O2 C24 H24B 110.3 . .
C25 C24 H24B 110.3 . .
H24A C24 H24B 108.6 . .
C24 C25 C26 113.25(9) . .
C24 C25 H25A 108.9 . .
C26 C25 H25A 108.9 . .
C24 C25 H25B 108.9 . .
C26 C25 H25B 108.9 . .
H25A C25 H25B 107.7 . .
C27 C26 C25 112.04(9) . .
C27 C26 H26A 109.2 . .
C25 C26 H26A 109.2 . .
C27 C26 H26B 109.2 . .
C25 C26 H26B 109.2 . .
H26A C26 H26B 107.9 . .
C28 C27 C26 114.21(9) . .
C28 C27 H27A 108.7 . .
C26 C27 H27A 108.7 . .
C28 C27 H27B 108.7 . .
C26 C27 H27B 108.7 . .
H27A C27 H27B 107.6 . .
C27 C28 C29 113.10(9) . .
C27 C28 H28A 109.0 . .
C29 C28 H28A 109.0 . .
C27 C28 H28B 109.0 . .
C29 C28 H28B 109.0 . .
H28A C28 H28B 107.8 . .
C30 C29 C28 113.79(9) . .
C30 C29 H29A 108.8 . .
C28 C29 H29A 108.8 . .
C30 C29 H29B 108.8 . .
C28 C29 H29B 108.8 . .
H29A C29 H29B 107.7 . .
C29 C30 C31 113.62(9) . .
C29 C30 H30A 108.8 . .
C31 C30 H30A 108.8 . .
C29 C30 H30B 108.8 . .
C31 C30 H30B 108.8 . .
H30A C30 H30B 107.7 . .
C32 C31 C30 113.23(9) . .
C32 C31 H31A 108.9 . .
C30 C31 H31A 108.9 . .
C32 C31 H31B 108.9 . .
C30 C31 H31B 108.9 . .
H31A C31 H31B 107.7 . .
C33 C32 C31 113.95(9) . .
C33 C32 H32A 108.8 . .
C31 C32 H32A 108.8 . .
C33 C32 H32B 108.8 . .
C31 C32 H32B 108.8 . .
H32A C32 H32B 107.7 . .
C32 C33 C34 113.06(9) . .
C32 C33 H33A 109.0 . .
C34 C33 H33A 109.0 . .
C32 C33 H33B 109.0 . .
C34 C33 H33B 109.0 . .
H33A C33 H33B 107.8 . .
C33 C34 C35 113.54(9) . .
C33 C34 H34A 108.9 . .
C35 C34 H34A 108.9 . .
C33 C34 H34B 108.9 . .
C35 C34 H34B 108.9 . .
H34A C34 H34B 107.7 . .
C34 C35 H35A 109.5 . .
C34 C35 H35B 109.5 . .
H35A C35 H35B 109.5 . .
C34 C35 H35C 109.5 . .
H35A C35 H35C 109.5 . .
H35B C35 H35C 109.5 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
O1 C2 1.3692(12) .
O1 C12 1.4497(13) .
O2 C3 1.3690(12) .
O2 C24 1.4505(12) .
F1 C7 1.3363(13) .
F2 C8 1.3374(13) .
F3 C9 1.3392(12) .
F4 C10 1.3379(13) .
F5 C11 1.3356(13) .
C1 C2 1.4049(14) .
C1 C3 1.4061(14) .
C1 C4 1.4299(15) .
C2 C3 1.3874(15) 2_755
C3 C2 1.3875(15) 2_755
C4 C5 1.1926(16) .
C5 C6 1.4290(15) .
C6 C11 1.3920(15) .
C6 C7 1.3942(16) .
C7 C8 1.3777(16) .
C8 C9 1.3780(16) .
C9 C10 1.3810(16) .
C10 C11 1.3759(16) .
C12 C13 1.5091(15) .
C12 H12A 0.9900 .
C12 H12B 0.9900 .
C13 C14 1.5193(15) .
C13 H13A 0.9900 .
C13 H13B 0.9900 .
C14 C15 1.5214(15) .
C14 H14A 0.9900 .
C14 H14B 0.9900 .
C15 C16 1.5225(15) .
C15 H15A 0.9900 .
C15 H15B 0.9900 .
C16 C17 1.5213(15) .
C16 H16A 0.9900 .
C16 H16B 0.9900 .
C17 C18 1.5234(15) .
C17 H17A 0.9900 .
C17 H17B 0.9900 .
C18 C19 1.5231(15) .
C18 H18A 0.9900 .
C18 H18B 0.9900 .
C19 C20 1.5236(15) .
C19 H19A 0.9900 .
C19 H19B 0.9900 .
C20 C21 1.5231(15) .
C20 H20A 0.9900 .
C20 H20B 0.9900 .
C21 C22 1.5224(15) .
C21 H21A 0.9900 .
C21 H21B 0.9900 .
C22 C23 1.5232(16) .
C22 H22A 0.9900 .
C22 H22B 0.9900 .
C23 H23A 0.9800 .
C23 H23B 0.9800 .
C23 H23C 0.9800 .
C24 C25 1.5084(14) .
C24 H24A 0.9900 .
C24 H24B 0.9900 .
C25 C26 1.5250(14) .
C25 H25A 0.9900 .
C25 H25B 0.9900 .
C26 C27 1.5250(14) .
C26 H26A 0.9900 .
C26 H26B 0.9900 .
C27 C28 1.5241(14) .
C27 H27A 0.9900 .
C27 H27B 0.9900 .
C28 C29 1.5274(14) .
C28 H28A 0.9900 .
C28 H28B 0.9900 .
C29 C30 1.5249(14) .
C29 H29A 0.9900 .
C29 H29B 0.9900 .
C30 C31 1.5266(14) .
C30 H30A 0.9900 .
C30 H30B 0.9900 .
C31 C32 1.5260(14) .
C31 H31A 0.9900 .
C31 H31B 0.9900 .
C32 C33 1.5240(14) .
C32 H32A 0.9900 .
C32 H32B 0.9900 .
C33 C34 1.5241(14) .
C33 H33A 0.9900 .
C33 H33B 0.9900 .
C34 C35 1.5256(16) .
C34 H34A 0.9900 .
C34 H34B 0.9900 .
C35 H35A 0.9800 .
C35 H35B 0.9800 .
C35 H35C 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
C12 O1 C2 C3 97.09(11) 2_755
C12 O1 C2 C1 -84.72(12) .
C3 C1 C2 O1 -177.37(9) .
C4 C1 C2 O1 1.40(15) .
C3 C1 C2 C3 0.81(17) 2_755
C4 C1 C2 C3 179.57(10) 2_755
C24 O2 C3 C2 -82.65(12) 2_755
C24 O2 C3 C1 101.22(11) .
C2 C1 C3 O2 175.34(9) .
C4 C1 C3 O2 -3.44(15) .
C2 C1 C3 C2 -0.81(17) 2_755
C4 C1 C3 C2 -179.59(10) 2_755
C2 C1 C4 C5 -92(8) .
C3 C1 C4 C5 87(8) .
C1 C4 C5 C6 47(10) .
C4 C5 C6 C11 47(4) .
C4 C5 C6 C7 -132(4) .
C11 C6 C7 F1 -179.74(10) .
C5 C6 C7 F1 -0.34(16) .
C11 C6 C7 C8 -0.08(16) .
C5 C6 C7 C8 179.33(10) .
F1 C7 C8 F2 0.05(16) .
C6 C7 C8 F2 -179.61(9) .
F1 C7 C8 C9 179.63(9) .
C6 C7 C8 C9 -0.04(17) .
F2 C8 C9 F3 -0.17(16) .
C7 C8 C9 F3 -179.75(10) .
F2 C8 C9 C10 179.74(10) .
C7 C8 C9 C10 0.16(17) .
F3 C9 C10 F4 -1.39(16) .
C8 C9 C10 F4 178.70(10) .
F3 C9 C10 C11 179.75(10) .
C8 C9 C10 C11 -0.17(17) .
F4 C10 C11 F5 0.31(17) .
C9 C10 C11 F5 179.17(10) .
F4 C10 C11 C6 -178.81(10) .
C9 C10 C11 C6 0.04(18) .
C7 C6 C11 F5 -179.04(10) .
C5 C6 C11 F5 1.54(16) .
C7 C6 C11 C10 0.07(17) .
C5 C6 C11 C10 -179.34(10) .
C2 O1 C12 C13 -165.83(9) .
O1 C12 C13 C14 62.33(13) .
C12 C13 C14 C15 177.31(9) .
C13 C14 C15 C16 173.67(9) .
C14 C15 C16 C17 -179.57(9) .
C15 C16 C17 C18 177.83(9) .
C16 C17 C18 C19 -179.89(8) .
C17 C18 C19 C20 179.95(9) .
C18 C19 C20 C21 179.43(9) .
C19 C20 C21 C22 -179.55(9) .
C20 C21 C22 C23 178.62(9) .
C3 O2 C24 C25 -178.60(8) .
O2 C24 C25 C26 -172.54(8) .
C24 C25 C26 C27 176.97(9) .
C25 C26 C27 C28 -176.42(9) .
C26 C27 C28 C29 178.27(9) .
C27 C28 C29 C30 179.78(9) .
C28 C29 C30 C31 -179.70(8) .
C29 C30 C31 C32 179.73(9) .
C30 C31 C32 C33 179.82(8) .
C31 C32 C33 C34 179.32(9) .
C32 C33 C34 C35 179.98(9) .
