#------------------------------------------------------------------------------
#$Date: 2025-08-19 08:12:48 +0200 (Tue 19 de Aug de 2025) $
#$Revision: 301798 $
#$URL: svn://www.crystallography.net/cod/cif/2/01/83/2018343.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_2018343
loop_
_publ_author_name
'Budy, Stephen M.'
'Nichol, Gary S.'
'Loy, Douglas A.'
_publ_section_title
;
 2,2'',3,3'',4,4'',5,5''-Octaphenyl-1,1':4',1''-terphenyl and
 2',3',5',6'-tetrafluoro-2,2'',3,3'',4,4'',5,5''-octaphenyl-1,1':4',1''-terphenyl
;
_journal_coeditor_code           EG3079
_journal_issue                   1
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              o23
_journal_page_last               o27
_journal_paper_doi               10.1107/S0108270111051900
_journal_volume                  68
_journal_year                    2012
_chemical_formula_iupac          'C66 H42 F4'
_chemical_formula_moiety         'C66 H42 F4'
_chemical_formula_sum            'C66 H42 F4'
_chemical_formula_weight         911.00
_chemical_name_systematic
;
2',3',5',6'-tetrafluoro-2,2'',3,3'',4,4'',5,5''-octaphenyl-1,1':4',1''-terphenyl
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_atom_sites_solution_hydrogens   difmap
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 109.754(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   19.7494(9)
_cell_length_b                   6.1217(3)
_cell_length_c                   20.4762(10)
_cell_measurement_reflns_used    9776
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      30.02
_cell_measurement_theta_min      2.98
_cell_volume                     2329.9(2)
_computing_cell_refinement       'SAINT (Bruker, 2007)'
_computing_data_collection       'APEX2 (Bruker, 2007)'
_computing_data_reduction        'SAINT (Bruker, 2007)'
_computing_molecular_graphics
;
ORTEP-3 for Windows (Farrugia, 1997) and
Mercury (Macrae et al., 2008)
;
_computing_publication_material
'SHELXTL (Sheldrick, 2008b), publCIF (Westrip, 2010) and local programs'
_computing_structure_refinement  'SHELXTL (Sheldrick, 2008b)'
_computing_structure_solution    'SHELXTL (Sheldrick, 2008b)'
_diffrn_ambient_temperature      100(2)
_diffrn_measured_fraction_theta_full 0.994
_diffrn_measured_fraction_theta_max 0.994
_diffrn_measurement_device_type  'Bruker Kappa APEXII DUO CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube with Miracol optics'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0260
_diffrn_reflns_av_sigmaI/netI    0.0143
_diffrn_reflns_limit_h_max       27
_diffrn_reflns_limit_h_min       -27
_diffrn_reflns_limit_k_max       8
_diffrn_reflns_limit_k_min       -8
_diffrn_reflns_limit_l_max       28
_diffrn_reflns_limit_l_min       -28
_diffrn_reflns_number            55308
_diffrn_reflns_theta_full        30.06
_diffrn_reflns_theta_max         30.06
_diffrn_reflns_theta_min         1.76
_exptl_absorpt_coefficient_mu    0.085
_exptl_absorpt_correction_T_max  0.9863
_exptl_absorpt_correction_T_min  0.9740
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Sheldrick, 2008a)'
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.299
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             948
_exptl_crystal_size_max          0.31
_exptl_crystal_size_mid          0.19
_exptl_crystal_size_min          0.16
_refine_diff_density_max         0.442
_refine_diff_density_min         -0.208
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.044
_refine_ls_hydrogen_treatment    refall
_refine_ls_matrix_type           full
_refine_ls_number_parameters     400
_refine_ls_number_reflns         6808
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.044
_refine_ls_R_factor_all          0.0454
_refine_ls_R_factor_gt           0.0394
_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)+(0.0627P)²+0.8093P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1064
_refine_ls_wR_factor_ref         0.1121
_reflns_number_gt                5932
_reflns_number_total             6808
_reflns_threshold_expression     I>2σ(I)
_cod_data_source_file            eg3079.cif
_cod_data_source_block           II
_cod_original_cell_volume        2329.89(19)
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               2018343
_cod_database_fobs_code          2018343
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x-1/2, -y-1/2, z-1/2'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_calc_flag
_atom_site_occupancy
_atom_site_symmetry_multiplicity
F F1 0.02634(3) 0.12160(10) 0.44405(3) 0.02347(14) Uani d 1 1
F F2 0.10792(3) 0.78082(11) 0.56439(3) 0.02356(14) Uani d 1 1
C C1 0.26119(5) 0.23661(16) 0.58691(5) 0.01513(17) Uani d 1 1
C C2 0.29220(5) 0.28232(15) 0.53577(5) 0.01332(16) Uani d 1 1
C C3 0.25000(5) 0.37847(14) 0.47251(5) 0.01286(16) Uani d 1 1
C C4 0.17731(5) 0.43276(15) 0.46086(5) 0.01344(16) Uani d 1 1
C C5 0.14790(5) 0.38988(15) 0.51298(5) 0.01484(17) Uani d 1 1
C C6 0.18934(5) 0.29011(17) 0.57442(5) 0.01717(18) Uani d 1 1
H H6 0.1691(7) 0.260(2) 0.6102(7) 0.021(3) Uiso d 1 1
C C7 0.30248(5) 0.13939(17) 0.65558(5) 0.01641(18) Uani d 1 1
C C8 0.28208(6) -0.06171(19) 0.67481(5) 0.0220(2) Uani d 1 1
H H8 0.2425(8) -0.141(3) 0.6425(8) 0.030(4) Uiso d 1 1
C C9 0.31961(6) -0.1510(2) 0.73962(6) 0.0273(2) Uani d 1 1
H H9 0.3042(9) -0.296(3) 0.7506(9) 0.041(4) Uiso d 1 1
C C10 0.37718(6) -0.0383(2) 0.78550(6) 0.0293(3) Uani d 1 1
H H10 0.4042(9) -0.101(3) 0.8308(9) 0.037(4) Uiso d 1 1
C C11 0.39655(6) 0.1638(2) 0.76722(6) 0.0284(2) Uani d 1 1
H H11 0.4371(9) 0.240(3) 0.7999(9) 0.040(4) Uiso d 1 1
C C12 0.35981(5) 0.25254(19) 0.70248(5) 0.0221(2) Uani d 1 1
H H12 0.3735(8) 0.397(3) 0.6891(8) 0.029(4) Uiso d 1 1
C C13 0.36974(5) 0.22899(15) 0.55018(5) 0.01321(16) Uani d 1 1
C C14 0.39448(5) 0.01479(15) 0.56475(5) 0.01527(17) Uani d 1 1
H H14 0.3605(8) -0.101(2) 0.5657(7) 0.022(3) Uiso d 1 1
C C15 0.46718(5) -0.03327(16) 0.57992(5) 0.01694(18) Uani d 1 1
H H15 0.4843(8) -0.186(3) 0.5895(8) 0.027(4) Uiso d 1 1
C C16 0.51587(5) 0.13202(17) 0.58159(5) 0.01707(18) Uani d 1 1
H H16 0.5674(8) 0.096(2) 0.5917(7) 0.024(3) Uiso d 1 1
C C17 0.49188(5) 0.34573(17) 0.56756(5) 0.01790(18) Uani d 1 1
H H17 0.5258(8) 0.460(3) 0.5690(8) 0.028(4) Uiso d 1 1
C C18 0.41899(5) 0.39338(16) 0.55123(5) 0.01696(18) Uani d 1 1
H H18 0.4014(8) 0.545(2) 0.5403(7) 0.024(3) Uiso d 1 1
C C19 0.28078(4) 0.42210(15) 0.41626(5) 0.01322(16) Uani d 1 1
C C20 0.31053(5) 0.25282(15) 0.38895(5) 0.01545(17) Uani d 1 1
H H20 0.3132(8) 0.107(2) 0.4096(7) 0.024(3) Uiso d 1 1
C C21 0.33559(5) 0.29092(17) 0.33406(5) 0.01821(18) Uani d 1 1
H H21 0.3549(8) 0.168(2) 0.3146(8) 0.025(3) Uiso d 1 1
C C22 0.33104(5) 0.49907(17) 0.30557(5) 0.01907(19) Uani d 1 1
H H22 0.3477(8) 0.526(2) 0.2665(8) 0.028(4) Uiso d 1 1
C C23 0.30225(5) 0.66903(16) 0.33273(5) 0.01822(18) Uani d 1 1
H H23 0.2987(8) 0.813(2) 0.3122(8) 0.025(3) Uiso d 1 1
C C24 0.27770(5) 0.63110(15) 0.38798(5) 0.01595(17) Uani d 1 1
H H24 0.2566(8) 0.753(2) 0.4062(8) 0.025(3) Uiso d 1 1
C C25 0.13026(5) 0.52311(15) 0.39309(5) 0.01405(16) Uani d 1 1
C C26 0.11375(5) 0.39533(16) 0.33317(5) 0.01729(18) Uani d 1 1
H H26 0.1345(8) 0.242(2) 0.3362(7) 0.022(3) Uiso d 1 1
C C27 0.06877(5) 0.47492(19) 0.26970(5) 0.0220(2) Uani d 1 1
H H27 0.0561(8) 0.379(3) 0.2277(8) 0.030(4) Uiso d 1 1
C C28 0.03999(6) 0.6838(2) 0.26539(5) 0.0235(2) Uani d 1 1
H H28 0.0074(8) 0.739(3) 0.2211(8) 0.031(4) Uiso d 1 1
C C29 0.05619(5) 0.81230(18) 0.32458(6) 0.0215(2) Uani d 1 1
H H29 0.0371(8) 0.959(3) 0.3221(8) 0.028(4) Uiso d 1 1
C C30 0.10112(5) 0.73276(16) 0.38825(5) 0.01754(18) Uani d 1 1
H H30 0.1125(8) 0.825(3) 0.4297(8) 0.028(4) Uiso d 1 1
C C31 0.07193(5) 0.44738(16) 0.50483(5) 0.01459(17) Uani d 1 1
C C32 0.01451(5) 0.31029(16) 0.47207(5) 0.01596(17) Uani d 1 1
C C33 0.05533(5) 0.63842(16) 0.53260(5) 0.01591(17) Uani d 1 1
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_site_symmetry_3
_geom_angle
C2 C1 C6 . 119.26(8)
C2 C1 C7 . 122.96(8)
C6 C1 C7 . 117.75(8)
C1 C2 C3 . 119.69(8)
C1 C2 C13 . 118.94(8)
C3 C2 C13 . 121.37(8)
C2 C3 C4 . 120.29(8)
C2 C3 C19 . 120.90(8)
C4 C3 C19 . 118.80(8)
C3 C4 C5 . 119.10(8)
C3 C4 C25 . 121.49(8)
C5 C4 C25 . 119.32(8)
C4 C5 C6 . 120.20(8)
C4 C5 C31 . 121.99(8)
C6 C5 C31 . 117.81(8)
C1 C6 C5 . 121.42(8)
C1 C6 H6 . 118.3(8)
C5 C6 H6 . 120.2(8)
C1 C7 C8 . 120.08(9)
C1 C7 C12 . 120.59(9)
C8 C7 C12 . 119.27(9)
C7 C8 H8 . 119.6(9)
C7 C8 C9 . 120.27(10)
H8 C8 C9 . 120.1(9)
C8 C9 H9 . 117.6(10)
C8 C9 C10 . 119.93(11)
H9 C9 C10 . 122.4(10)
C9 C10 H10 . 120.4(10)
C9 C10 C11 . 119.95(10)
H10 C10 C11 . 119.6(10)
C10 C11 H11 . 118.7(10)
C10 C11 C12 . 120.34(11)
H11 C11 C12 . 120.9(10)
C7 C12 C11 . 120.20(10)
C7 C12 H12 . 119.1(9)
C11 C12 H12 . 120.7(9)
C2 C13 C14 . 120.58(8)
C2 C13 C18 . 120.55(8)
C14 C13 C18 . 118.85(8)
C13 C14 H14 . 119.5(8)
C13 C14 C15 . 120.38(9)
H14 C14 C15 . 120.1(8)
C14 C15 H15 . 120.0(9)
C14 C15 C16 . 120.28(9)
H15 C15 C16 . 119.7(9)
C15 C16 H16 . 119.8(9)
C15 C16 C17 . 119.79(8)
H16 C16 C17 . 120.4(9)
C16 C17 H17 . 119.6(9)
C16 C17 C18 . 119.96(9)
H17 C17 C18 . 120.5(9)
C13 C18 C17 . 120.73(9)
C13 C18 H18 . 118.9(8)
C17 C18 H18 . 120.4(8)
C3 C19 C20 . 120.70(8)
C3 C19 C24 . 120.67(8)
C20 C19 C24 . 118.58(8)
C19 C20 H20 . 118.1(8)
C19 C20 C21 . 120.73(9)
H20 C20 C21 . 121.2(8)
C20 C21 H21 . 119.3(9)
C20 C21 C22 . 120.10(9)
H21 C21 C22 . 120.6(9)
C21 C22 H22 . 120.5(9)
C21 C22 C23 . 119.69(9)
H22 C22 C23 . 119.8(9)
C22 C23 H23 . 119.2(9)
C22 C23 C24 . 120.16(9)
H23 C23 C24 . 120.6(9)
C19 C24 C23 . 120.73(9)
C19 C24 H24 . 119.9(9)
C23 C24 H24 . 119.3(9)
C4 C25 C26 . 119.77(8)
C4 C25 C30 . 121.29(8)
C26 C25 C30 . 118.93(9)
C25 C26 H26 . 119.5(8)
C25 C26 C27 . 120.67(9)
H26 C26 C27 . 119.8(8)
C26 C27 H27 . 119.5(9)
C26 C27 C28 . 119.98(10)
H27 C27 C28 . 120.4(9)
C27 C28 H28 . 120.3(9)
C27 C28 C29 . 119.81(9)
H28 C28 C29 . 119.8(9)
C28 C29 H29 . 120.6(9)
C28 C29 C30 . 120.30(10)
H29 C29 C30 . 119.1(9)
C25 C30 C29 . 120.30(9)
C25 C30 H30 . 120.0(9)
C29 C30 H30 . 119.7(9)
C5 C31 C32 . 122.48(8)
C5 C31 C33 . 121.35(8)
C32 C31 C33 . 116.11(8)
F1 C32 C31 . 119.61(8)
F1 C32 C33 3_566 118.52(8)
C31 C32 C33 3_566 121.86(8)
F2 C33 C31 . 119.63(8)
F2 C33 C32 3_566 118.34(8)
C31 C33 C32 3_566 122.03(8)
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_site_symmetry_2
_geom_bond_distance
F1 C32 . 1.3449(11)
F2 C33 . 1.3437(11)
C1 C2 . 1.4082(12)
C1 C6 . 1.3931(12)
C1 C7 . 1.4905(13)
C2 C3 . 1.4104(12)
C2 C13 . 1.4944(12)
C3 C4 . 1.4130(11)
C3 C19 . 1.4969(12)
C4 C5 . 1.4014(12)
C4 C25 . 1.4911(12)
C5 C6 . 1.3891(13)
C5 C31 . 1.4946(12)
C6 H6 . 0.964(14)
C7 C8 . 1.3929(14)
C7 C12 . 1.3961(14)
C8 H8 . 0.967(16)
C8 C9 . 1.3946(15)
C9 H9 . 0.986(18)
C9 C10 . 1.3892(18)
C10 H10 . 0.979(17)
C10 C11 . 1.3833(19)
C11 H11 . 0.971(18)
C11 C12 . 1.3887(15)
C12 H12 . 0.988(16)
C13 C14 . 1.3960(13)
C13 C18 . 1.3947(13)
C14 H14 . 0.983(14)
C14 C15 . 1.3939(12)
C15 H15 . 0.990(15)
C15 C16 . 1.3884(14)
C16 H16 . 0.991(14)
C16 C17 . 1.3880(14)
C17 H17 . 0.962(16)
C17 C18 . 1.3942(13)
C18 H18 . 0.989(15)
C19 C20 . 1.3979(12)
C19 C24 . 1.3972(13)
C20 H20 . 0.983(15)
C20 C21 . 1.3922(13)
C21 H21 . 0.986(15)
C21 C22 . 1.3915(14)
C22 H22 . 0.976(15)
C22 C23 . 1.3887(14)
C23 H23 . 0.970(15)
C23 C24 . 1.3927(13)
C24 H24 . 0.987(15)
C25 C26 . 1.3976(13)
C25 C30 . 1.3962(13)
C26 H26 . 1.015(14)
C26 C27 . 1.3911(14)
C27 H27 . 1.000(16)
C27 C28 . 1.3900(16)
C28 H28 . 0.978(16)
C28 C29 . 1.3885(16)
C29 H29 . 0.970(16)
C29 C30 . 1.3936(14)
C30 H30 . 0.981(16)
C31 C32 . 1.3879(13)
C31 C33 . 1.3872(13)
C32 C33 3_566 1.3858(12)
C33 C32 3_566 1.3859(12)
loop_
_geom_hbond_atom_site_label_D
_geom_hbond_atom_site_label_H
_geom_hbond_atom_site_label_A
_geom_hbond_site_symmetry_A
_geom_hbond_distance_DH
_geom_hbond_distance_HA
_geom_hbond_distance_DA
_geom_hbond_angle_DHA
_geom_hbond_publ_flag
C30 H30 F1 1_565 0.981(16) 2.572(15) 3.2084(11) 122.6(11) y
C8 H8 F2 1_545 0.967(16) 2.642(16) 3.5517(12) 157.0(12) y
C27 H27 C16 4_565 1.000(16) 2.825(16) 3.6927(14) 145.5(12) y
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_site_symmetry_4
_geom_torsion
C6 C1 C2 C3 . -0.86(14)
C6 C1 C2 C13 . 178.65(9)
C7 C1 C2 C3 . -178.74(9)
C7 C1 C2 C13 . 0.77(14)
C1 C2 C3 C4 . 1.22(14)
C1 C2 C3 C19 . -177.95(8)
C13 C2 C3 C4 . -178.28(8)
C13 C2 C3 C19 . 2.55(13)
C2 C3 C4 C5 . 0.04(13)
C2 C3 C4 C25 . -176.56(8)
C19 C3 C4 C5 . 179.22(8)
C19 C3 C4 C25 . 2.62(13)
C3 C4 C5 C6 . -1.66(14)
C3 C4 C5 C31 . 178.65(8)
C25 C4 C5 C6 . 175.02(9)
C25 C4 C5 C31 . -4.67(14)
C4 C5 C6 C1 . 2.06(15)
C31 C5 C6 C1 . -178.24(9)
C2 C1 C6 C5 . -0.77(15)
C7 C1 C6 C5 . 177.22(9)
C2 C1 C7 C8 . -119.10(11)
C2 C1 C7 C12 . 63.77(13)
C6 C1 C7 C8 . 62.99(13)
C6 C1 C7 C12 . -114.14(11)
C1 C7 C8 C9 . -178.60(9)
C12 C7 C8 C9 . -1.44(15)
C7 C8 C9 C10 . 0.59(17)
C8 C9 C10 C11 . 0.91(18)
C9 C10 C11 C12 . -1.55(18)
C10 C11 C12 C7 . 0.68(17)
C1 C7 C12 C11 . 177.96(9)
C8 C7 C12 C11 . 0.81(15)
C1 C2 C13 C14 . 59.46(12)
C1 C2 C13 C18 . -118.73(10)
C3 C2 C13 C14 . -121.03(10)
C3 C2 C13 C18 . 60.77(12)
C2 C13 C14 C15 . -178.33(8)
C18 C13 C14 C15 . -0.11(14)
C13 C14 C15 C16 . 0.84(14)
C14 C15 C16 C17 . -0.48(14)
C15 C16 C17 C18 . -0.60(15)
C16 C17 C18 C13 . 1.34(15)
C2 C13 C18 C17 . 177.25(9)
C14 C13 C18 C17 . -0.98(14)
C2 C3 C19 C20 . 57.00(12)
C2 C3 C19 C24 . -125.67(10)
C4 C3 C19 C20 . -122.18(10)
C4 C3 C19 C24 . 55.16(12)
C3 C19 C20 C21 . 176.46(8)
C24 C19 C20 C21 . -0.93(14)
C19 C20 C21 C22 . -0.18(14)
C20 C21 C22 C23 . 0.83(15)
C21 C22 C23 C24 . -0.35(15)
C22 C23 C24 C19 . -0.79(14)
C3 C19 C24 C23 . -175.97(8)
C20 C19 C24 C23 . 1.42(14)
C3 C4 C25 C26 . 64.34(12)
C3 C4 C25 C30 . -116.72(10)
C5 C4 C25 C26 . -112.26(10)
C5 C4 C25 C30 . 66.68(12)
C4 C25 C26 C27 . 178.69(9)
C30 C25 C26 C27 . -0.27(14)
C25 C26 C27 C28 . 0.24(15)
C26 C27 C28 C29 . -0.08(15)
C27 C28 C29 C30 . -0.03(16)
C28 C29 C30 C25 . 0.00(15)
C4 C25 C30 C29 . -178.79(9)
C26 C25 C30 C29 . 0.15(14)
C4 C5 C31 C32 . 85.36(12)
C4 C5 C31 C33 . -97.51(11)
C6 C5 C31 C32 . -94.34(11)
C6 C5 C31 C33 . 82.79(12)
C5 C31 C32 F1 . -2.52(14)
C5 C31 C32 C33 3_566 177.29(9)
C33 C31 C32 F1 . -179.79(8)
C33 C31 C32 C33 3_566 0.02(15)
C5 C31 C33 F2 . 3.51(14)
C5 C31 C33 C32 3_566 -177.32(9)
C32 C31 C33 F2 . -179.19(8)
C32 C31 C33 C32 3_566 -0.01(15)
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 PubChem 123397509
