#------------------------------------------------------------------------------
#$Date: 2016-03-26 17:20:05 +0100 (Sat 26 de Mar de 2016) $
#$Revision: 180422 $
#$URL: svn://www.crystallography.net/cod/cif/7/20/91/7209132.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_7209132
loop_
_publ_author_name
'Akpinar, Handan'
'Mague, Joel T.'
'Lahti, Paul M.'
_publ_section_title
;
 A co-crystal of
 2-(1′-pyrenyl)-4,4,5,5-tetramethyl-4,5-dihydro-1H-imidazole-3-oxide-1-oxyl
 with octafluoronaphthalene
;
_journal_issue                   5
_journal_name_full               CrystEngComm
_journal_page_first              831
_journal_paper_doi               10.1039/c2ce26621k
_journal_volume                  15
_journal_year                    2013
_chemical_formula_moiety         '2(C23 H21 N2 O2), C10 F8, 2(C H2 Cl2)'
_chemical_formula_sum            'C58 H46 Cl4 F8 N4 O4'
_chemical_formula_weight         1156.79
_chemical_name_systematic
;
?
;
_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   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 107.125(1)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   13.8838(8)
_cell_length_b                   10.1039(6)
_cell_length_c                   18.7348(11)
_cell_measurement_reflns_used    9857
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      28.26
_cell_measurement_theta_min      2.53
_cell_volume                     2511.6(3)
_computing_cell_refinement       'Bruker SAINT (Bruker-AXS, 2009)'
_computing_data_collection       'Bruker APEX2 (Bruker-AXS, 2010)'
_computing_data_reduction        'Bruker SAINT (Bruker-AXS, 2009)'
_computing_molecular_graphics    'Bruker SHELXTL (Bruker-AXS, 2008)'
_computing_publication_material  'Bruker SHELXTL (Bruker-AXS, 2008)'
_computing_structure_refinement  'SHELXL (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS (Sheldrick, 2008)'
_diffrn_ambient_temperature      100(2)
_diffrn_measured_fraction_theta_full 0.996
_diffrn_measured_fraction_theta_max 0.996
_diffrn_measurement_device_type  'Bruker Smart APEX CCD'
_diffrn_measurement_method       'φ and ω scans'
_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  0.0547
_diffrn_reflns_av_sigmaI/netI    0.0339
_diffrn_reflns_limit_h_max       18
_diffrn_reflns_limit_h_min       -18
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       24
_diffrn_reflns_limit_l_min       -24
_diffrn_reflns_number            42521
_diffrn_reflns_theta_full        28.28
_diffrn_reflns_theta_max         28.28
_diffrn_reflns_theta_min         2.16
_exptl_absorpt_coefficient_mu    0.321
_exptl_absorpt_correction_T_max  0.9873
_exptl_absorpt_correction_T_min  0.8284
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS (Sheldrick, 2009)'
_exptl_crystal_colour            violet
_exptl_crystal_density_diffrn    1.530
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       Plate
_exptl_crystal_F_000             1188
_exptl_crystal_size_max          0.21
_exptl_crystal_size_mid          0.21
_exptl_crystal_size_min          0.04
_refine_diff_density_max         0.529
_refine_diff_density_min         -0.312
_refine_diff_density_rms         0.063
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.048
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     360
_refine_ls_number_reflns         6228
_refine_ls_number_restraints     1
_refine_ls_restrained_S_all      1.048
_refine_ls_R_factor_all          0.0618
_refine_ls_R_factor_gt           0.0442
_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)+(0.0440P)²+2.0672P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1029
_refine_ls_wR_factor_ref         0.1161
_reflns_number_gt                4902
_reflns_number_total             6228
_reflns_threshold_expression     >2σ(I)
_cod_data_source_file            c2ce26621k.txt
_cod_data_source_block           pml029_0m
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
according to /home/saulius/struct/CIF-dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 from 2011-04-26.

Automatic conversion script
Id: cif_fix_values 1891 2012-01-12 08:04:46Z andrius 
;
_cod_original_sg_symbol_H-M      P2(1)/n
_cod_database_code               7209132
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_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
_atom_site_disorder_assembly
_atom_site_disorder_group
O1 O 0.48149(11) 0.35343(13) 0.30167(8) 0.0281(3) Uani 1 1 d . . .
O2 O 0.37444(10) -0.07066(13) 0.22345(7) 0.0245(3) Uani 1 1 d . . .
N1 N 0.44013(11) 0.23913(15) 0.29787(8) 0.0197(3) Uani 1 1 d . . .
N2 N 0.38786(11) 0.03913(15) 0.25983(8) 0.0190(3) Uani 1 1 d . . .
C1 C 0.43601(13) 0.14698(17) 0.24481(10) 0.0181(3) Uani 1 1 d . . .
C2 C 0.40496(14) 0.18470(17) 0.36038(10) 0.0186(3) Uani 1 1 d . . .
C3 C 0.33903(14) 0.06712(18) 0.32011(10) 0.0197(4) Uani 1 1 d . . .
C4 C 0.50014(16) 0.1413(2) 0.42070(11) 0.0276(4) Uani 1 1 d . . .
H4A H 0.5340 0.0715 0.4009 0.041 Uiso 1 1 calc R . .
H4B H 0.4818 0.1076 0.4640 0.041 Uiso 1 1 calc R . .
H4C H 0.5456 0.2172 0.4359 0.041 Uiso 1 1 calc R . .
C5 C 0.34884(16) 0.28977(19) 0.39034(11) 0.0255(4) Uani 1 1 d . . .
H5A H 0.3954 0.3612 0.4134 0.038 Uiso 1 1 calc R . .
H5B H 0.3210 0.2503 0.4278 0.038 Uiso 1 1 calc R . .
H5C H 0.2939 0.3257 0.3492 0.038 Uiso 1 1 calc R . .
C6 C 0.34149(16) -0.05464(19) 0.36761(11) 0.0268(4) Uani 1 1 d . . .
H6A H 0.2973 -0.1227 0.3378 0.040 Uiso 1 1 calc R . .
H6B H 0.3182 -0.0315 0.4106 0.040 Uiso 1 1 calc R . .
H6C H 0.4106 -0.0886 0.3853 0.040 Uiso 1 1 calc R . .
C7 C 0.23047(14) 0.1071(2) 0.27889(11) 0.0249(4) Uani 1 1 d . . .
H7A H 0.2310 0.1854 0.2481 0.037 Uiso 1 1 calc R . .
H7B H 0.1944 0.1277 0.3153 0.037 Uiso 1 1 calc R . .
H7C H 0.1966 0.0340 0.2469 0.037 Uiso 1 1 calc R . .
C8 C 0.48248(13) 0.16059(17) 0.18432(10) 0.0179(3) Uani 1 1 d . . .
C9 C 0.58630(14) 0.17839(18) 0.20343(10) 0.0201(4) Uani 1 1 d . . .
H9 H 0.6241 0.1865 0.2545 0.024 Uiso 1 1 calc R . .
C10 C 0.63526(14) 0.18437(17) 0.14874(10) 0.0203(4) Uani 1 1 d . . .
H10 H 0.7064 0.1944 0.1629 0.024 Uiso 1 1 calc R . .
C11 C 0.58115(13) 0.17578(16) 0.07318(10) 0.0178(3) Uani 1 1 d . . .
C12 C 0.62997(14) 0.17920(17) 0.01508(10) 0.0200(4) Uani 1 1 d . . .
H12 H 0.7012 0.1871 0.0284 0.024 Uiso 1 1 calc R . .
C13 C 0.57653(14) 0.17135(17) -0.05781(10) 0.0205(4) Uani 1 1 d . . .
H13 H 0.6109 0.1726 -0.0948 0.025 Uiso 1 1 calc R . .
C14 C 0.46801(14) 0.16103(17) -0.08038(10) 0.0190(3) Uani 1 1 d . . .
C15 C 0.41143(15) 0.15464(18) -0.15561(10) 0.0223(4) Uani 1 1 d . . .
H15 H 0.4446 0.1572 -0.1933 0.027 Uiso 1 1 calc R . .
C16 C 0.30743(15) 0.14455(19) -0.17550(11) 0.0243(4) Uani 1 1 d . . .
H16 H 0.2699 0.1413 -0.2268 0.029 Uiso 1 1 calc R . .
C17 C 0.25715(15) 0.13910(18) -0.12142(10) 0.0234(4) Uani 1 1 d . . .
H17 H 0.1858 0.1319 -0.1361 0.028 Uiso 1 1 calc R . .
C18 C 0.31102(14) 0.14411(17) -0.04536(10) 0.0202(4) Uani 1 1 d . . .
C19 C 0.26277(14) 0.13581(18) 0.01233(10) 0.0218(4) Uani 1 1 d . . .
H19 H 0.1915 0.1274 -0.0012 0.026 Uiso 1 1 calc R . .
C20 C 0.31589(13) 0.13960(18) 0.08559(10) 0.0204(4) Uani 1 1 d . . .
H20 H 0.2813 0.1327 0.1223 0.024 Uiso 1 1 calc R . .
C21 C 0.42384(13) 0.15390(16) 0.10882(9) 0.0160(3) Uani 1 1 d . . .
C22 C 0.47437(13) 0.16238(16) 0.05272(10) 0.0169(3) Uani 1 1 d . . .
C23 C 0.41789(13) 0.15641(16) -0.02432(10) 0.0180(3) Uani 1 1 d . . .
C24 C 0.66122(15) 0.51896(18) 0.10477(11) 0.0252(4) Uani 1 1 d . . .
C25 C 0.58386(16) 0.51613(19) 0.13850(11) 0.0260(4) Uani 1 1 d . . .
C26 C 0.48662(15) 0.50477(18) 0.09613(11) 0.0235(4) Uani 1 1 d . . .
C27 C 0.46037(14) 0.49787(17) 0.01730(10) 0.0202(4) Uani 1 1 d . . .
C28 C 0.36014(14) 0.48830(18) -0.02935(11) 0.0231(4) Uani 1 1 d . . .
F1 F 0.75675(9) 0.52668(12) 0.14845(7) 0.0349(3) Uani 1 1 d . . .
F2 F 0.60766(10) 0.52486(12) 0.21309(6) 0.0355(3) Uani 1 1 d . . .
F3 F 0.41421(10) 0.50216(13) 0.13025(7) 0.0345(3) Uani 1 1 d . . .
F4 F 0.28289(9) 0.48704(13) -0.00005(7) 0.0338(3) Uani 1 1 d . . .
Cl1 Cl 0.89458(4) 0.29172(5) 0.13878(3) 0.03414(14) Uani 1 1 d . . .
C29 C 0.98982(17) 0.1697(2) 0.16191(12) 0.0335(5) Uani 0.910(4) 1 d PD A 1
H29A H 0.9641 0.0904 0.1815 0.040 Uiso 0.910(4) 1 calc PR A 1
H29B H 1.0483 0.2039 0.2018 0.040 Uiso 0.910(4) 1 calc PR A 1
Cl2 Cl 1.02916(12) 0.12425(8) 0.08372(4) 0.0346(3) Uani 0.910(4) 1 d PD A 1
C29A C 0.98982(17) 0.1697(2) 0.16191(12) 0.0335(5) Uani 0.090(4) 1 d PD A 2
H29C H 0.9751 0.1014 0.1951 0.040 Uiso 0.090(4) 1 calc PR A 2
H29D H 1.0566 0.2093 0.1865 0.040 Uiso 0.090(4) 1 calc PR A 2
Cl2A Cl 0.9849(11) 0.1022(9) 0.0731(5) 0.0346(3) Uani 0.090(4) 1 d PD A 2
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'
N N 0.0061 0.0033 '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'
Cl Cl 0.1484 0.1585 '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
O1 N1 C1 125.64(15) . .
O1 N1 C2 122.03(14) . .
C1 N1 C2 111.65(14) . .
O2 N2 C1 126.07(15) . .
O2 N2 C3 122.17(14) . .
C1 N2 C3 111.38(14) . .
N2 C1 N1 108.61(15) . .
N2 C1 C8 126.45(16) . .
N1 C1 C8 124.83(16) . .
N1 C2 C5 110.65(14) . .
N1 C2 C4 105.85(15) . .
C5 C2 C4 110.67(15) . .
N1 C2 C3 100.49(13) . .
C5 C2 C3 114.91(15) . .
C4 C2 C3 113.43(15) . .
N2 C3 C6 110.57(14) . .
N2 C3 C7 105.37(14) . .
C6 C3 C7 111.08(16) . .
N2 C3 C2 100.19(13) . .
C6 C3 C2 115.36(15) . .
C7 C3 C2 113.24(15) . .
C2 C4 H4A 109.5 . .
C2 C4 H4B 109.5 . .
H4A C4 H4B 109.5 . .
C2 C4 H4C 109.5 . .
H4A C4 H4C 109.5 . .
H4B C4 H4C 109.5 . .
C2 C5 H5A 109.5 . .
C2 C5 H5B 109.5 . .
H5A C5 H5B 109.5 . .
C2 C5 H5C 109.5 . .
H5A C5 H5C 109.5 . .
H5B C5 H5C 109.5 . .
C3 C6 H6A 109.5 . .
C3 C6 H6B 109.5 . .
H6A C6 H6B 109.5 . .
C3 C6 H6C 109.5 . .
H6A C6 H6C 109.5 . .
H6B C6 H6C 109.5 . .
C3 C7 H7A 109.5 . .
C3 C7 H7B 109.5 . .
H7A C7 H7B 109.5 . .
C3 C7 H7C 109.5 . .
H7A C7 H7C 109.5 . .
H7B C7 H7C 109.5 . .
C9 C8 C21 120.85(16) . .
C9 C8 C1 118.14(16) . .
C21 C8 C1 121.01(15) . .
C10 C9 C8 120.75(17) . .
C10 C9 H9 119.6 . .
C8 C9 H9 119.6 . .
C9 C10 C11 120.77(16) . .
C9 C10 H10 119.6 . .
C11 C10 H10 119.6 . .
C10 C11 C22 119.04(16) . .
C10 C11 C12 122.12(16) . .
C22 C11 C12 118.84(16) . .
C13 C12 C11 121.42(17) . .
C13 C12 H12 119.3 . .
C11 C12 H12 119.3 . .
C12 C13 C14 121.03(16) . .
C12 C13 H13 119.5 . .
C14 C13 H13 119.5 . .
C15 C14 C23 119.43(17) . .
C15 C14 C13 121.78(16) . .
C23 C14 C13 118.80(16) . .
C16 C15 C14 120.42(17) . .
C16 C15 H15 119.8 . .
C14 C15 H15 119.8 . .
C15 C16 C17 120.95(17) . .
C15 C16 H16 119.5 . .
C17 C16 H16 119.5 . .
C16 C17 C18 120.48(18) . .
C16 C17 H17 119.8 . .
C18 C17 H17 119.8 . .
C17 C18 C23 119.03(17) . .
C17 C18 C19 122.48(17) . .
C23 C18 C19 118.49(16) . .
C20 C19 C18 121.82(17) . .
C20 C19 H19 119.1 . .
C18 C19 H19 119.1 . .
C19 C20 C21 121.15(17) . .
C19 C20 H20 119.4 . .
C21 C20 H20 119.4 . .
C8 C21 C22 118.15(15) . .
C8 C21 C20 123.37(16) . .
C22 C21 C20 118.48(15) . .
C11 C22 C23 119.66(16) . .
C11 C22 C21 120.38(16) . .
C23 C22 C21 119.96(15) . .
C14 C23 C18 119.68(16) . .
C14 C23 C22 120.22(16) . .
C18 C23 C22 120.09(16) . .
F1 C24 C28 120.82(18) . 3_665
F1 C24 C25 118.64(18) . .
C28 C24 C25 120.53(18) 3_665 .
F2 C25 C26 120.90(18) . .
F2 C25 C24 118.92(18) . .
C26 C25 C24 120.18(18) . .
F3 C26 C25 118.69(17) . .
F3 C26 C27 119.86(17) . .
C25 C26 C27 121.45(18) . .
C28 C27 C26 123.60(17) . .
C28 C27 C27 118.1(2) . 3_665
C26 C27 C27 118.3(2) . 3_665
F4 C28 C24 118.01(17) . 3_665
F4 C28 C27 120.57(17) . .
C24 C28 C27 121.42(17) 3_665 .
Cl1 C29 Cl2 111.68(12) . .
Cl1 C29 H29A 109.3 . .
Cl2 C29 H29A 109.3 . .
Cl1 C29 H29B 109.3 . .
Cl2 C29 H29B 109.3 . .
H29A C29 H29B 107.9 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
O1 N1 1.2825(19) .
O2 N2 1.2864(19) .
N1 C1 1.351(2) .
N1 C2 1.500(2) .
N2 C1 1.351(2) .
N2 C3 1.505(2) .
C1 C8 1.466(2) .
C2 C5 1.519(2) .
C2 C4 1.528(3) .
C2 C3 1.553(2) .
C3 C6 1.513(2) .
C3 C7 1.532(3) .
C4 H4A 0.9800 .
C4 H4B 0.9800 .
C4 H4C 0.9800 .
C5 H5A 0.9800 .
C5 H5B 0.9800 .
C5 H5C 0.9800 .
C6 H6A 0.9800 .
C6 H6B 0.9800 .
C6 H6C 0.9800 .
C7 H7A 0.9800 .
C7 H7B 0.9800 .
C7 H7C 0.9800 .
C8 C9 1.391(2) .
C8 C21 1.411(2) .
C9 C10 1.388(2) .
C9 H9 0.9500 .
C10 C11 1.396(3) .
C10 H10 0.9500 .
C11 C22 1.424(2) .
C11 C12 1.442(2) .
C12 C13 1.351(3) .
C12 H12 0.9500 .
C13 C14 1.444(3) .
C13 H13 0.9500 .
C14 C15 1.398(3) .
C14 C23 1.421(2) .
C15 C16 1.385(3) .
C15 H15 0.9500 .
C16 C17 1.390(3) .
C16 H16 0.9500 .
C17 C18 1.402(3) .
C17 H17 0.9500 .
C18 C23 1.424(2) .
C18 C19 1.432(3) .
C19 C20 1.354(3) .
C19 H19 0.9500 .
C20 C21 1.440(2) .
C20 H20 0.9500 .
C21 C22 1.428(2) .
C22 C23 1.427(2) .
C24 F1 1.340(2) .
C24 C28 1.357(3) 3_665
C24 C25 1.398(3) .
C25 F2 1.341(2) .
C25 C26 1.355(3) .
C26 F3 1.341(2) .
C26 C27 1.415(3) .
C27 C28 1.412(3) .
C27 C27 1.433(3) 3_665
C28 F4 1.341(2) .
C28 C24 1.358(3) 3_665
Cl1 C29 1.766(2) .
C29 Cl2 1.768(2) .
C29 H29A 0.9900 .
C29 H29B 0.9900 .
loop_
_geom_hbond_atom_site_label_D
_geom_hbond_atom_site_label_H
_geom_hbond_atom_site_label_A
_geom_hbond_distance_DH
_geom_hbond_distance_HA
_geom_hbond_distance_DA
_geom_hbond_angle_DHA
_geom_hbond_site_symmetry_A
C6 H6B F4 0.98 2.49 3.441(2) 164 2_545
C7 H7B F3 0.98 2.41 3.174(2) 134 2_545
C9 H9 F1 0.95 2.62 3.352(2) 134 2_645
C13 H13 O2 0.95 2.68 3.518(2) 147 3_655
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
O2 N2 C1 N1 -176.26(16) . .
C3 N2 C1 N1 10.7(2) . .
O2 N2 C1 C8 0.0(3) . .
C3 N2 C1 C8 -173.02(16) . .
O1 N1 C1 N2 179.20(16) . .
C2 N1 C1 N2 8.5(2) . .
O1 N1 C1 C8 2.9(3) . .
C2 N1 C1 C8 -167.81(16) . .
O1 N1 C2 C5 44.4(2) . .
C1 N1 C2 C5 -144.54(16) . .
O1 N1 C2 C4 -75.6(2) . .
C1 N1 C2 C4 95.52(17) . .
O1 N1 C2 C3 166.22(15) . .
C1 N1 C2 C3 -22.71(18) . .
O2 N2 C3 C6 40.6(2) . .
C1 N2 C3 C6 -146.11(16) . .
O2 N2 C3 C7 -79.55(19) . .
C1 N2 C3 C7 93.78(17) . .
O2 N2 C3 C2 162.72(15) . .
C1 N2 C3 C2 -23.94(18) . .
N1 C2 C3 N2 25.80(16) . .
C5 C2 C3 N2 144.58(15) . .
C4 C2 C3 N2 -86.71(17) . .
N1 C2 C3 C6 144.51(15) . .
C5 C2 C3 C6 -96.72(19) . .
C4 C2 C3 C6 32.0(2) . .
N1 C2 C3 C7 -85.93(17) . .
C5 C2 C3 C7 32.8(2) . .
C4 C2 C3 C7 161.55(16) . .
N2 C1 C8 C9 -115.9(2) . .
N1 C1 C8 C9 59.8(2) . .
N2 C1 C8 C21 63.2(3) . .
N1 C1 C8 C21 -121.1(2) . .
C21 C8 C9 C10 -2.7(3) . .
C1 C8 C9 C10 176.33(16) . .
C8 C9 C10 C11 1.5(3) . .
C9 C10 C11 C22 0.8(3) . .
C9 C10 C11 C12 -178.82(16) . .
C10 C11 C12 C13 -179.71(17) . .
C22 C11 C12 C13 0.7(3) . .
C11 C12 C13 C14 0.9(3) . .
C12 C13 C14 C15 179.11(17) . .
C12 C13 C14 C23 -1.3(3) . .
C23 C14 C15 C16 0.3(3) . .
C13 C14 C15 C16 179.89(17) . .
C14 C15 C16 C17 -0.7(3) . .
C15 C16 C17 C18 0.2(3) . .
C16 C17 C18 C23 0.7(3) . .
C16 C17 C18 C19 -178.55(17) . .
C17 C18 C19 C20 179.40(18) . .
C23 C18 C19 C20 0.1(3) . .
C18 C19 C20 C21 0.8(3) . .
C9 C8 C21 C22 1.6(2) . .
C1 C8 C21 C22 -177.43(15) . .
C9 C8 C21 C20 -178.08(16) . .
C1 C8 C21 C20 2.9(3) . .
C19 C20 C21 C8 178.91(17) . .
C19 C20 C21 C22 -0.8(3) . .
C10 C11 C22 C23 178.63(16) . .
C12 C11 C22 C23 -1.8(2) . .
C10 C11 C22 C21 -1.9(2) . .
C12 C11 C22 C21 177.76(15) . .
C8 C21 C22 C11 0.7(2) . .
C20 C21 C22 C11 -179.62(15) . .
C8 C21 C22 C23 -179.82(16) . .
C20 C21 C22 C23 -0.1(2) . .
C15 C14 C23 C18 0.6(2) . .
C13 C14 C23 C18 -179.00(16) . .
C15 C14 C23 C22 179.80(16) . .
C13 C14 C23 C22 0.2(2) . .
C17 C18 C23 C14 -1.1(3) . .
C19 C18 C23 C14 178.20(16) . .
C17 C18 C23 C22 179.69(16) . .
C19 C18 C23 C22 -1.0(2) . .
C11 C22 C23 C14 1.3(2) . .
C21 C22 C23 C14 -178.21(15) . .
C11 C22 C23 C18 -179.49(15) . .
C21 C22 C23 C18 1.0(2) . .
F1 C24 C25 F2 1.8(3) . .
C28 C24 C25 F2 -179.33(17) 3_665 .
F1 C24 C25 C26 -178.22(17) . .
C28 C24 C25 C26 0.6(3) 3_665 .
F2 C25 C26 F3 -0.1(3) . .
C24 C25 C26 F3 179.90(17) . .
F2 C25 C26 C27 178.85(16) . .
C24 C25 C26 C27 -1.1(3) . .
F3 C26 C27 C28 0.1(3) . .
C25 C26 C27 C28 -178.87(18) . .
F3 C26 C27 C27 179.44(19) . 3_665
C25 C26 C27 C27 0.5(3) . 3_665
C26 C27 C28 F4 0.9(3) . .
C27 C27 C28 F4 -178.45(19) 3_665 .
C26 C27 C28 C24 -179.55(18) . 3_665
C27 C27 C28 C24 1.1(3) 3_665 3_665
