#------------------------------------------------------------------------------
#$Date: 2025-08-18 16:30:32 +0300 (Mon, 18 Aug 2025) $
#$Revision: 301775 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/50/80/1508024.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_1508024
loop_
_publ_author_name
'Gong, Han-Yuan'
'Rambo, Brett M.'
'Karnas, Elizabeth'
'Lynch, Vincent M.'
'Sessler, Jonathan L.'
_publ_section_title
;
 A 'Texas-sized' molecular box that forms an anion-induced supramolecular
 necklace.
;
_journal_issue                   5
_journal_name_full               'Nature chemistry'
_journal_page_first              406
_journal_page_last               409
_journal_paper_doi               10.1038/nchem.597
_journal_volume                  2
_journal_year                    2010
_chemical_formula_moiety         'C38 H34 N10 4+. 4 P F6 1-, 2 C2 H3 N'
_chemical_formula_sum            'C42 H40 F24 N12 P4'
_chemical_formula_weight         1292.74
_chemical_name_common
;
cyclo[2](2,6-di(1H-imidazol-1-yl)pyridine)[2](1,4-dimethylenebenzene) hexafluorophosphate with "part-chair" conformation_2CH3CN 
;
_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                94.45(3)
_cell_angle_beta                 97.04(3)
_cell_angle_gamma                104.09(3)
_cell_formula_units_Z            1
_cell_length_a                   9.832(2)
_cell_length_b                   10.944(2)
_cell_length_c                   12.335(3)
_cell_measurement_reflns_used    5449
_cell_measurement_temperature    173(2)
_cell_measurement_theta_max      27.48
_cell_measurement_theta_min      3.07
_cell_volume                     1269.6(5)
_computing_cell_refinement       'Collect software, Nonius B.V. 1998'
_computing_data_collection       'Collect software, Nonius B.V. 1998'
_computing_data_reduction
;
DENZO and Scalepack (Otwinoski and Minor, 1997)
;
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      173(2)
_diffrn_measured_fraction_theta_full 3.07
_diffrn_measured_fraction_theta_max 3.07
_diffrn_measurement_device_type  'Nonius Kappa CCD'
_diffrn_measurement_method       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  0.0232
_diffrn_reflns_av_sigmaI/netI    0.0260
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_number            12510
_diffrn_reflns_theta_full        27.48
_diffrn_reflns_theta_max         27.48
_diffrn_reflns_theta_min         3.07
_exptl_absorpt_coefficient_mu    0.285
_exptl_absorpt_correction_T_max  0.9537
_exptl_absorpt_correction_T_min  0.8440
_exptl_absorpt_correction_type   multi-scan
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.691
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             652
_exptl_crystal_size_max          0.62
_exptl_crystal_size_mid          0.21
_exptl_crystal_size_min          0.17
_refine_diff_density_max         1.500
_refine_diff_density_min         -1.029
_refine_diff_density_rms         0.074
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.034
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     373
_refine_ls_number_reflns         5449
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.034
_refine_ls_R_factor_all          0.0488
_refine_ls_R_factor_gt           0.0466
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0430P)²+2.4834P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1142
_refine_ls_wR_factor_ref         0.1157
_reflns_number_gt                5107
_reflns_number_total             5449
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            nchem.597-s2.cif
_cod_data_source_block           a
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Triclinic' changed to 'triclinic'
according to /home/saulius/struct/CIF-dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_values 1891 2012-01-12 08:04:46Z andrius 
;
_cod_original_cell_volume        1269.6(4)
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               1508024
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
P1 P 1.61974(5) 0.35413(5) 0.33452(4) 0.01404(13) Uani 1 1 d .
P2 P 1.0000 1.0000 0.5000 0.01367(16) Uani 1 2 d S
P3 P 1.5000 1.0000 0.0000 0.01680(17) Uani 1 2 d S
F1 F 1.73186(15) 0.27995(13) 0.38268(12) 0.0263(3) Uani 1 1 d .
F2 F 1.52305(16) 0.31004(13) 0.42671(12) 0.0295(3) Uani 1 1 d .
F3 F 1.53586(14) 0.23244(12) 0.25427(12) 0.0240(3) Uani 1 1 d .
F4 F 1.70480(15) 0.47864(12) 0.41516(11) 0.0230(3) Uani 1 1 d .
F5 F 1.50921(13) 0.43083(12) 0.28611(12) 0.0225(3) Uani 1 1 d .
F6 F 1.71755(14) 0.40187(13) 0.24346(11) 0.0217(3) Uani 1 1 d .
F7 F 1.0665(2) 1.13876(15) 0.56097(15) 0.0522(5) Uani 1 1 d .
F8 F 1.11995(17) 0.94768(15) 0.56540(13) 0.0357(4) Uani 1 1 d .
F9 F 1.0905(2) 1.03097(19) 0.40310(17) 0.0565(6) Uani 1 1 d .
F10 F 1.47666(15) 1.13408(13) -0.03049(12) 0.0268(3) Uani 1 1 d .
F11 F 1.37538(14) 0.92934(14) -0.09695(11) 0.0235(3) Uani 1 1 d .
F12 F 1.38659(14) 0.99226(14) 0.08344(11) 0.0251(3) Uani 1 1 d .
N1 N 1.75803(18) 0.35268(16) -0.36063(14) 0.0134(3) Uani 1 1 d .
N1A N 2.0945(3) 0.5916(3) 0.12082(19) 0.0414(6) Uani 1 1 d .
N2 N 1.86163(19) 0.55134(16) -0.35373(14) 0.0149(3) Uani 1 1 d .
N3 N 1.86736(18) 0.83014(16) 0.17876(14) 0.0131(3) Uani 1 1 d .
N4 N 1.67697(18) 0.81303(15) 0.25309(14) 0.0122(3) Uani 1 1 d .
N5 N 1.45896(18) 0.73914(15) 0.30864(14) 0.0128(3) Uani 1 1 d .
C1 C 1.6523(2) 0.24019(18) -0.35078(16) 0.0132(4) Uani 1 1 d .
C1A C 2.3145(4) 0.5687(3) 0.0326(3) 0.0465(8) Uani 1 1 d .
H1AA H 2.3705 0.6531 0.0223 0.070 Uiso 1 1 calc R
H1AB H 2.2842 0.5169 -0.0387 0.070 Uiso 1 1 calc R
H1AC H 2.3724 0.5282 0.0812 0.070 Uiso 1 1 calc R
C2 C 1.7400(2) 0.46989(19) -0.34639(16) 0.0140(4) Uani 1 1 d .
H2A H 1.6548 0.4910 -0.3333 0.017 Uiso 1 1 calc R
C2A C 2.1898(3) 0.5804(3) 0.0820(2) 0.0323(6) Uani 1 1 d .
C3 C 1.8964(2) 0.3611(2) -0.37796(17) 0.0173(4) Uani 1 1 d .
H3A H 1.9379 0.2925 -0.3908 0.021 Uiso 1 1 calc R
C4 C 1.9607(2) 0.4852(2) -0.37303(17) 0.0182(4) Uani 1 1 d .
H4A H 2.0566 0.5208 -0.3813 0.022 Uiso 1 1 calc R
C5 C 1.8869(2) 0.69090(19) -0.34129(17) 0.0181(4) Uani 1 1 d .
H5A H 1.8033 0.7142 -0.3786 0.022 Uiso 1 1 calc R
H5B H 1.9697 0.7288 -0.3770 0.022 Uiso 1 1 calc R
C6 C 1.9141(2) 0.74388(18) -0.22168(17) 0.0153(4) Uani 1 1 d .
C7 C 1.8037(2) 0.7682(2) -0.17008(18) 0.0179(4) Uani 1 1 d .
H7A H 1.7122 0.7548 -0.2113 0.021 Uiso 1 1 calc R
C8 C 1.8262(2) 0.8119(2) -0.05871(18) 0.0171(4) Uani 1 1 d .
H8A H 1.7502 0.8279 -0.0241 0.020 Uiso 1 1 calc R
C9 C 1.9600(2) 0.83200(18) 0.00182(16) 0.0139(4) Uani 1 1 d .
C10 C 2.0713(2) 0.81045(19) -0.05015(17) 0.0153(4) Uani 1 1 d .
H10A H 2.1634 0.8258 -0.0093 0.018 Uiso 1 1 calc R
C11 C 2.0486(2) 0.76672(19) -0.16129(17) 0.0160(4) Uani 1 1 d .
H11A H 2.1252 0.7524 -0.1962 0.019 Uiso 1 1 calc R
C12 C 1.9891(2) 0.88157(19) 0.12283(17) 0.0156(4) Uani 1 1 d .
H12A H 2.0735 0.8577 0.1581 0.019 Uiso 1 1 calc R
H12B H 2.0099 0.9753 0.1307 0.019 Uiso 1 1 calc R
C13 C 1.7782(2) 0.89333(18) 0.21167(16) 0.0135(4) Uani 1 1 d .
H13A H 1.7848 0.9807 0.2068 0.016 Uiso 1 1 calc R
C14 C 1.8231(2) 0.70538(19) 0.19868(17) 0.0162(4) Uani 1 1 d .
H14A H 1.8678 0.6397 0.1825 0.019 Uiso 1 1 calc R
C15 C 1.7042(2) 0.69432(18) 0.24555(17) 0.0154(4) Uani 1 1 d .
H15A H 1.6495 0.6195 0.2689 0.018 Uiso 1 1 calc R
C16 C 1.5588(2) 0.84134(18) 0.29733(15) 0.0124(4) Uani 1 1 d .
C17 C 1.5531(2) 0.96478(19) 0.32351(17) 0.0158(4) Uani 1 1 d .
H17A H 1.6274 1.0348 0.3132 0.019 Uiso 1 1 calc R
C18 C 1.4337(2) 0.9815(2) 0.36555(18) 0.0188(4) Uani 1 1 d .
H18A H 1.4240 1.0646 0.3837 0.023 Uiso 1 1 calc R
C19 C 1.3283(2) 0.8773(2) 0.38122(18) 0.0179(4) Uani 1 1 d .
H19A H 1.2466 0.8865 0.4115 0.021 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'
N N 0.0061 0.0033 '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'
P P 0.1023 0.0942 '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
F3 P1 F2 90.56(8) . .
F3 P1 F6 90.74(8) . .
F2 P1 F6 178.59(8) . .
F3 P1 F4 179.45(8) . .
F2 P1 F4 89.80(8) . .
F6 P1 F4 88.90(8) . .
F3 P1 F1 90.65(8) . .
F2 P1 F1 90.66(8) . .
F6 P1 F1 89.88(8) . .
F4 P1 F1 89.76(8) . .
F3 P1 F5 90.09(8) . .
F2 P1 F5 89.97(8) . .
F6 P1 F5 89.47(7) . .
F4 P1 F5 89.49(8) . .
F1 P1 F5 179.02(8) . .
F9 P2 F9 180.000(1) . 2_776
F9 P2 F7 88.83(12) . 2_776
F9 P2 F7 91.17(12) 2_776 2_776
F9 P2 F7 91.17(12) . .
F9 P2 F7 88.83(12) 2_776 .
F7 P2 F7 180.000(1) 2_776 .
F9 P2 F8 88.36(10) . 2_776
F9 P2 F8 91.64(10) 2_776 2_776
F7 P2 F8 91.64(9) 2_776 2_776
F7 P2 F8 88.36(9) . 2_776
F9 P2 F8 91.64(10) . .
F9 P2 F8 88.36(10) 2_776 .
F7 P2 F8 88.36(9) 2_776 .
F7 P2 F8 91.64(9) . .
F8 P2 F8 180.000(1) 2_776 .
F12 P3 F12 180.000(1) 2_875 .
F12 P3 F11 90.23(7) 2_875 .
F12 P3 F11 89.77(7) . .
F12 P3 F11 89.77(7) 2_875 2_875
F12 P3 F11 90.23(7) . 2_875
F11 P3 F11 180.000(1) . 2_875
F12 P3 F10 89.91(8) 2_875 .
F12 P3 F10 90.09(8) . .
F11 P3 F10 89.68(8) . .
F11 P3 F10 90.32(8) 2_875 .
F12 P3 F10 90.09(8) 2_875 2_875
F12 P3 F10 89.91(8) . 2_875
F11 P3 F10 90.32(8) . 2_875
F11 P3 F10 89.68(8) 2_875 2_875
F10 P3 F10 180.000(1) . 2_875
C2 N1 C3 108.73(17) . .
C2 N1 C1 124.12(17) . .
C3 N1 C1 127.00(17) . .
C2 N2 C4 109.10(17) . .
C2 N2 C5 125.13(18) . .
C4 N2 C5 125.76(18) . .
C13 N3 C14 109.29(16) . .
C13 N3 C12 125.75(17) . .
C14 N3 C12 124.84(17) . .
C13 N4 C15 108.45(16) . .
C13 N4 C16 127.02(16) . .
C15 N4 C16 124.53(16) . .
C16 N5 C1 116.11(17) . 2_865
N5 C1 C19 125.19(19) 2_865 2_865
N5 C1 N1 114.33(17) 2_865 .
C19 C1 N1 120.46(18) 2_865 .
C2A C1A H1AA 109.5 . .
C2A C1A H1AB 109.5 . .
H1AA C1A H1AB 109.5 . .
C2A C1A H1AC 109.5 . .
H1AA C1A H1AC 109.5 . .
H1AB C1A H1AC 109.5 . .
N2 C2 N1 108.07(17) . .
N2 C2 H2A 126.0 . .
N1 C2 H2A 126.0 . .
N1A C2A C1A 178.8(3) . .
C4 C3 N1 106.72(18) . .
C4 C3 H3A 126.6 . .
N1 C3 H3A 126.6 . .
C3 C4 N2 107.37(18) . .
C3 C4 H4A 126.3 . .
N2 C4 H4A 126.3 . .
N2 C5 C6 111.33(16) . .
N2 C5 H5A 109.4 . .
C6 C5 H5A 109.4 . .
N2 C5 H5B 109.4 . .
C6 C5 H5B 109.4 . .
H5A C5 H5B 108.0 . .
C7 C6 C11 119.25(19) . .
C7 C6 C5 120.18(19) . .
C11 C6 C5 120.56(18) . .
C6 C7 C8 120.6(2) . .
C6 C7 H7A 119.7 . .
C8 C7 H7A 119.7 . .
C9 C8 C7 119.92(19) . .
C9 C8 H8A 120.0 . .
C7 C8 H8A 120.0 . .
C8 C9 C10 119.54(19) . .
C8 C9 C12 121.41(18) . .
C10 C9 C12 119.02(18) . .
C11 C10 C9 120.46(19) . .
C11 C10 H10A 119.8 . .
C9 C10 H10A 119.8 . .
C10 C11 C6 120.15(18) . .
C10 C11 H11A 119.9 . .
C6 C11 H11A 119.9 . .
N3 C12 C9 111.34(17) . .
N3 C12 H12A 109.4 . .
C9 C12 H12A 109.4 . .
N3 C12 H12B 109.4 . .
C9 C12 H12B 109.4 . .
H12A C12 H12B 108.0 . .
N3 C13 N4 108.33(17) . .
N3 C13 H13A 125.8 . .
N4 C13 H13A 125.8 . .
C15 C14 N3 106.99(17) . .
C15 C14 H14A 126.5 . .
N3 C14 H14A 126.5 . .
C14 C15 N4 106.94(17) . .
C14 C15 H15A 126.5 . .
N4 C15 H15A 126.5 . .
N5 C16 C17 124.99(18) . .
N5 C16 N4 113.54(16) . .
C17 C16 N4 121.47(18) . .
C16 C17 C18 116.74(19) . .
C16 C17 H17A 121.6 . .
C18 C17 H17A 121.6 . .
C19 C18 C17 120.18(19) . .
C19 C18 H18A 119.9 . .
C17 C18 H18A 119.9 . .
C1 C19 C18 116.77(19) 2_865 .
C1 C19 H19A 121.6 2_865 .
C18 C19 H19A 121.6 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
P1 F3 1.5793(15) .
P1 F2 1.5990(14) .
P1 F6 1.6033(14) .
P1 F4 1.6051(15) .
P1 F1 1.6052(14) .
P1 F5 1.6140(14) .
P2 F9 1.5848(16) .
P2 F9 1.5848(16) 2_776
P2 F7 1.5868(17) 2_776
P2 F7 1.5868(17) .
P2 F8 1.5927(15) 2_776
P2 F8 1.5927(15) .
P3 F12 1.5996(13) 2_875
P3 F12 1.5996(13) .
P3 F11 1.6017(15) .
P3 F11 1.6017(15) 2_875
P3 F10 1.6049(14) .
P3 F10 1.6049(14) 2_875
N1 C2 1.338(3) .
N1 C3 1.385(2) .
N1 C1 1.429(3) .
N1A C2A 1.131(4) .
N2 C2 1.324(3) .
N2 C4 1.379(3) .
N2 C5 1.479(3) .
N3 C13 1.323(3) .
N3 C14 1.380(2) .
N3 C12 1.470(2) .
N4 C13 1.338(2) .
N4 C15 1.387(2) .
N4 C16 1.431(2) .
N5 C16 1.326(3) .
N5 C1 1.327(2) 2_865
C1 N5 1.327(2) 2_865
C1 C19 1.376(3) 2_865
C1A C2A 1.462(4) .
C1A H1AA 0.9800 .
C1A H1AB 0.9800 .
C1A H1AC 0.9800 .
C2 H2A 0.9500 .
C3 C4 1.344(3) .
C3 H3A 0.9500 .
C4 H4A 0.9500 .
C5 C6 1.510(3) .
C5 H5A 0.9900 .
C5 H5B 0.9900 .
C6 C7 1.391(3) .
C6 C11 1.391(3) .
C7 C8 1.392(3) .
C7 H7A 0.9500 .
C8 C9 1.389(3) .
C8 H8A 0.9500 .
C9 C10 1.392(3) .
C9 C12 1.516(3) .
C10 C11 1.389(3) .
C10 H10A 0.9500 .
C11 H11A 0.9500 .
C12 H12A 0.9900 .
C12 H12B 0.9900 .
C13 H13A 0.9500 .
C14 C15 1.350(3) .
C14 H14A 0.9500 .
C15 H15A 0.9500 .
C16 C17 1.381(3) .
C17 C18 1.386(3) .
C17 H17A 0.9500 .
C18 C19 1.385(3) .
C18 H18A 0.9500 .
C19 C1 1.376(3) 2_865
C19 H19A 0.9500 .
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
C2 N1 C1 N5 -10.4(3) . 2_865
C3 N1 C1 N5 164.54(19) . 2_865
C2 N1 C1 C19 171.1(2) . 2_865
C3 N1 C1 C19 -13.9(3) . 2_865
C4 N2 C2 N1 -0.1(2) . .
C5 N2 C2 N1 -179.16(18) . .
C3 N1 C2 N2 -0.2(2) . .
C1 N1 C2 N2 175.57(17) . .
C2 N1 C3 C4 0.4(2) . .
C1 N1 C3 C4 -175.20(19) . .
N1 C3 C4 N2 -0.5(2) . .
C2 N2 C4 C3 0.3(2) . .
C5 N2 C4 C3 179.42(19) . .
C2 N2 C5 C6 80.4(3) . .
C4 N2 C5 C6 -98.5(2) . .
N2 C5 C6 C7 -95.8(2) . .
N2 C5 C6 C11 83.0(2) . .
C11 C6 C7 C8 -1.6(3) . .
C5 C6 C7 C8 177.23(18) . .
C6 C7 C8 C9 0.2(3) . .
C7 C8 C9 C10 1.2(3) . .
C7 C8 C9 C12 178.99(18) . .
C8 C9 C10 C11 -1.3(3) . .
C12 C9 C10 C11 -179.11(18) . .
C9 C10 C11 C6 -0.1(3) . .
C7 C6 C11 C10 1.5(3) . .
C5 C6 C11 C10 -177.30(18) . .
C13 N3 C12 C9 -106.1(2) . .
C14 N3 C12 C9 69.4(2) . .
C8 C9 C12 N3 36.4(3) . .
C10 C9 C12 N3 -145.83(18) . .
C14 N3 C13 N4 0.3(2) . .
C12 N3 C13 N4 176.39(18) . .
C15 N4 C13 N3 -0.1(2) . .
C16 N4 C13 N3 -179.58(18) . .
C13 N3 C14 C15 -0.4(2) . .
C12 N3 C14 C15 -176.53(19) . .
N3 C14 C15 N4 0.3(2) . .
C13 N4 C15 C14 -0.1(2) . .
C16 N4 C15 C14 179.37(18) . .
C1 N5 C16 C17 -1.6(3) 2_865 .
C1 N5 C16 N4 179.11(17) 2_865 .
C13 N4 C16 N5 165.17(19) . .
C15 N4 C16 N5 -14.3(3) . .
C13 N4 C16 C17 -14.2(3) . .
C15 N4 C16 C17 166.4(2) . .
N5 C16 C17 C18 0.6(3) . .
N4 C16 C17 C18 179.82(18) . .
C16 C17 C18 C19 1.0(3) . .
C17 C18 C19 C1 -1.5(3) . 2_865
loop_
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_cod_related_entry_code
1 PubChem 139040350
