#------------------------------------------------------------------------------
#$Date: 2017-10-14 22:27:35 +0300 (Sat, 14 Oct 2017) $
#$Revision: 202017 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/15/06/7150603.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_7150603
loop_
_publ_author_name
'Rahanyan, Nelli'
'Linden, Anthony'
'Baldridge, Kim K.'
'Siegel, Jay S.'
_publ_section_title
;
 Diels--Alder reactions of 3,6-disubstituted 1,2,4,5-tetrazines.
 Synthesis and X-ray crystal structures of diazafluoranthene
 derivatives
;
_journal_issue                   10
_journal_name_full               'Organic & Biomolecular Chemistry'
_journal_page_first              2082
_journal_page_last               2092
_journal_paper_doi               10.1039/b820551e
_journal_volume                  7
_journal_year                    2009
_chemical_formula_moiety         'C24 H20 N6'
_chemical_formula_sum            'C24 H20 N6'
_chemical_formula_weight         392.46
_chemical_name_systematic
;
?
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      14
_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_date             06-09-25
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 94.4706(11)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   11.4681(2)
_cell_length_b                   8.0005(1)
_cell_length_c                   20.8185(4)
_cell_measurement_reflns_used    5938
_cell_measurement_temperature    160(1)
_cell_measurement_theta_max      30.0
_cell_measurement_theta_min      2.0
_cell_volume                     1904.30(5)
_computing_cell_refinement       'DENZO-SMN (Otwinowski & Minor, 1997)'
_computing_data_collection       'COLLECT (Nonius, 2000)'
_computing_data_reduction
'DENZO-SMN and SCALEPACK (Otwinowski & Minor, 1997)'
_computing_molecular_graphics    'ORTEPII (Johnson, 1976)'
_computing_publication_material  'SHELXL97 and PLATON (Spek, 2006)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 1997)'
_computing_structure_solution    'SIR92 (Altomare et al., 1994)'
_diffrn_ambient_temperature      160(1)
_diffrn_detector                 '65 mm CCD camera on \k goniostat'
_diffrn_detector_area_resol_mean 9
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_device_type
'Nonius KappaCCD area-detector diffractometer'
_diffrn_measurement_method       'φ and ω scans with κ offsets'
_diffrn_radiation_monochromator  'horizontally mounted graphite crystal'
_diffrn_radiation_source         'Nonius FR590 sealed tube generator'
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0800
_diffrn_reflns_av_sigmaI/netI    0.0550
_diffrn_reflns_limit_h_max       16
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       11
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       29
_diffrn_reflns_limit_l_min       -29
_diffrn_reflns_number            52686
_diffrn_reflns_theta_full        30.03
_diffrn_reflns_theta_max         30.03
_diffrn_reflns_theta_min         2.73
_diffrn_standards_decay_%        0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    0.0853
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            'pale yellow'
_exptl_crystal_density_diffrn    1.369
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             824
_exptl_crystal_size_max          0.35
_exptl_crystal_size_mid          0.28
_exptl_crystal_size_min          0.20
_refine_diff_density_max         0.333
_refine_diff_density_min         -0.248
_refine_diff_density_rms         0.068
_refine_ls_extinction_coef       0.052(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   1.040
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     276
_refine_ls_number_reflns         5570
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.040
_refine_ls_R_factor_all          0.0794
_refine_ls_R_factor_gt           0.0509
_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)+(0.0632P)²+0.3349P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1166
_refine_ls_wR_factor_ref         0.1330
_reflns_number_gt                4012
_reflns_number_total             5570
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            b820551e.txt
_cod_data_source_block           SG0635
_cod_database_code               7150603
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
N1 N 0.42850(10) 0.17746(13) 0.18860(5) 0.0247(3) Uani 1 1 d . . .
N2 N 0.53320(9) 0.10323(13) 0.19080(5) 0.0244(3) Uani 1 1 d . . .
N17 N 0.69670(9) -0.00102(13) 0.15042(5) 0.0221(2) Uani 1 1 d . . .
N18 N 0.78257(9) 0.01835(15) 0.10892(5) 0.0280(3) Uani 1 1 d . . .
N24 N 0.27400(9) 0.32105(13) 0.13936(5) 0.0236(2) Uani 1 1 d . . .
N25 N 0.18439(9) 0.29297(14) 0.09295(5) 0.0268(3) Uani 1 1 d . . .
C3 C 0.59048(10) 0.08611(15) 0.13804(6) 0.0201(3) Uani 1 1 d . . .
C4 C 0.54860(10) 0.15190(14) 0.07781(6) 0.0186(3) Uani 1 1 d . . .
C5 C 0.58976(10) 0.16171(15) 0.01205(6) 0.0189(3) Uani 1 1 d . . .
C6 C 0.68360(11) 0.10297(16) -0.01931(6) 0.0236(3) Uani 1 1 d . . .
H6 H 0.7424 0.0369 0.0031 0.028 Uiso 1 1 calc R . .
C7 C 0.69080(11) 0.14254(17) -0.08506(6) 0.0270(3) Uani 1 1 d . . .
H7 H 0.7550 0.1006 -0.1064 0.032 Uiso 1 1 calc R . .
C8 C 0.60890(12) 0.23904(17) -0.11945(6) 0.0258(3) Uani 1 1 d . . .
H8 H 0.6178 0.2642 -0.1634 0.031 Uiso 1 1 calc R . .
C9 C 0.51105(11) 0.30097(15) -0.08928(6) 0.0219(3) Uani 1 1 d . . .
C10 C 0.42026(11) 0.40370(16) -0.11708(6) 0.0249(3) Uani 1 1 d . . .
H10 H 0.4207 0.4370 -0.1609 0.030 Uiso 1 1 calc R . .
C11 C 0.33147(11) 0.45555(16) -0.08124(6) 0.0260(3) Uani 1 1 d . . .
H11 H 0.2718 0.5252 -0.1009 0.031 Uiso 1 1 calc R . .
C12 C 0.32562(11) 0.40891(15) -0.01606(6) 0.0233(3) Uani 1 1 d . . .
H12 H 0.2630 0.4459 0.0076 0.028 Uiso 1 1 calc R . .
C13 C 0.41263(10) 0.30869(14) 0.01235(6) 0.0190(3) Uani 1 1 d . . .
C14 C 0.44069(10) 0.23839(14) 0.07685(6) 0.0191(3) Uani 1 1 d . . .
C15 C 0.38378(11) 0.24390(15) 0.13381(6) 0.0210(3) Uani 1 1 d . . .
C16 C 0.50464(10) 0.25785(14) -0.02425(6) 0.0190(3) Uani 1 1 d . . .
C19 C 0.87043(12) -0.07532(18) 0.13308(7) 0.0302(3) Uani 1 1 d . . .
C20 C 0.84312(12) -0.15391(17) 0.19031(7) 0.0300(3) Uani 1 1 d . . .
H20 H 0.8922 -0.2266 0.2164 0.036 Uiso 1 1 calc R . .
C21 C 0.73198(12) -0.10532(16) 0.20118(6) 0.0255(3) Uani 1 1 d . . .
C22 C 0.98055(14) -0.0873(2) 0.09903(9) 0.0469(4) Uani 1 1 d . . .
H221 H 0.9617 -0.0770 0.0525 0.070 Uiso 1 1 calc R . .
H222 H 1.0180 -0.1956 0.1085 0.070 Uiso 1 1 calc R . .
H223 H 1.0340 0.0028 0.1138 0.070 Uiso 1 1 calc R . .
C23 C 0.66158(14) -0.15537(19) 0.25519(7) 0.0358(4) Uani 1 1 d . . .
H231 H 0.6993 -0.2501 0.2783 0.054 Uiso 1 1 calc R . .
H232 H 0.5829 -0.1879 0.2380 0.054 Uiso 1 1 calc R . .
H233 H 0.6562 -0.0611 0.2849 0.054 Uiso 1 1 calc R . .
C26 C 0.09362(11) 0.37234(18) 0.11468(7) 0.0290(3) Uani 1 1 d . . .
C27 C 0.12377(12) 0.44960(18) 0.17437(7) 0.0312(3) Uani 1 1 d . . .
H27 H 0.0737 0.5137 0.1991 0.037 Uiso 1 1 calc R . .
C28 C 0.23880(12) 0.41444(16) 0.18987(6) 0.0260(3) Uani 1 1 d . . .
C29 C -0.02251(13) 0.3706(2) 0.07619(8) 0.0404(4) Uani 1 1 d . . .
H291 H -0.0132 0.3232 0.0335 0.061 Uiso 1 1 calc R . .
H292 H -0.0524 0.4850 0.0715 0.061 Uiso 1 1 calc R . .
H293 H -0.0778 0.3023 0.0984 0.061 Uiso 1 1 calc R . .
C30 C 0.31643(13) 0.46123(18) 0.24781(7) 0.0329(3) Uani 1 1 d . . .
H301 H 0.3237 0.3663 0.2776 0.049 Uiso 1 1 calc R . .
H302 H 0.2827 0.5568 0.2693 0.049 Uiso 1 1 calc R . .
H303 H 0.3939 0.4914 0.2347 0.049 Uiso 1 1 calc R . .
loop_
_atom_type_symbol
_atom_type_description
_atom_type_number_in_cell
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 96 0.0033 0.0016
; International Tables for Crystallography (1992).
Vol. C, Tables 4.2.6.8 and 6.1.1.4
;
H H 80 0.0000 0.0000
; International Tables for Crystallography (1992).
Vol. C, Tables 4.2.6.8 and 6.1.1.4
;
N N 24 0.0061 0.0033
; International Tables for Crystallography (1992).
Vol. C, Tables 4.2.6.8 and 6.1.1.4
;
loop_
_diffrn_standard_refln_index_h
_diffrn_standard_refln_index_k
_diffrn_standard_refln_index_l
? ? ?
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
_geom_angle_publ_flag
C15 N1 N2 119.60(10) . . ?
C3 N2 N1 121.16(10) . . ?
N18 N17 C21 111.65(10) . . ?
N18 N17 C3 118.86(10) . . ?
C21 N17 C3 129.46(11) . . ?
C19 N18 N17 105.07(11) . . ?
N25 N24 C28 112.25(10) . . ?
N25 N24 C15 119.54(10) . . ?
C28 N24 C15 127.97(11) . . ?
C26 N25 N24 104.21(11) . . ?
N2 C3 C4 122.70(11) . . ?
N2 C3 N17 112.05(11) . . ?
C4 C3 N17 125.24(11) . . ?
C3 C4 C14 115.58(11) . . ?
C3 C4 C5 136.83(11) . . ?
C14 C4 C5 107.54(10) . . ?
C6 C5 C16 117.53(11) . . ?
C6 C5 C4 137.06(12) . . ?
C16 C5 C4 105.41(10) . . ?
C5 C6 C7 119.15(12) . . ?
C5 C6 H6 120.4 . . ?
C7 C6 H6 120.4 . . ?
C8 C7 C6 122.79(12) . . ?
C8 C7 H7 118.6 . . ?
C6 C7 H7 118.6 . . ?
C7 C8 C9 119.89(12) . . ?
C7 C8 H8 120.1 . . ?
C9 C8 H8 120.1 . . ?
C16 C9 C10 116.42(11) . . ?
C16 C9 C8 116.36(11) . . ?
C10 C9 C8 127.21(12) . . ?
C11 C10 C9 120.45(12) . . ?
C11 C10 H10 119.8 . . ?
C9 C10 H10 119.8 . . ?
C10 C11 C12 122.32(12) . . ?
C10 C11 H11 118.8 . . ?
C12 C11 H11 118.8 . . ?
C13 C12 C11 118.61(12) . . ?
C13 C12 H12 120.7 . . ?
C11 C12 H12 120.7 . . ?
C12 C13 C16 118.95(11) . . ?
C12 C13 C14 135.70(11) . . ?
C16 C13 C14 105.31(10) . . ?
C15 C14 C4 117.93(11) . . ?
C15 C14 C13 132.85(11) . . ?
C4 C14 C13 109.20(10) . . ?
N1 C15 C14 122.86(11) . . ?
N1 C15 N24 113.07(11) . . ?
C14 C15 N24 124.07(11) . . ?
C9 C16 C13 123.24(11) . . ?
C9 C16 C5 124.25(11) . . ?
C13 C16 C5 112.51(11) . . ?
N18 C19 C20 111.27(12) . . ?
N18 C19 C22 120.08(13) . . ?
C20 C19 C22 128.65(13) . . ?
C21 C20 C19 106.58(12) . . ?
C21 C20 H20 126.7 . . ?
C19 C20 H20 126.7 . . ?
C20 C21 N17 105.43(11) . . ?
C20 C21 C23 127.98(12) . . ?
N17 C21 C23 126.58(12) . . ?
C19 C22 H221 109.5 . . ?
C19 C22 H222 109.5 . . ?
H221 C22 H222 109.5 . . ?
C19 C22 H223 109.5 . . ?
H221 C22 H223 109.5 . . ?
H222 C22 H223 109.5 . . ?
C21 C23 H231 109.5 . . ?
C21 C23 H232 109.5 . . ?
H231 C23 H232 109.5 . . ?
C21 C23 H233 109.5 . . ?
H231 C23 H233 109.5 . . ?
H232 C23 H233 109.5 . . ?
N25 C26 C27 111.45(12) . . ?
N25 C26 C29 120.01(13) . . ?
C27 C26 C29 128.53(13) . . ?
C28 C27 C26 106.57(12) . . ?
C28 C27 H27 126.7 . . ?
C26 C27 H27 126.7 . . ?
C27 C28 N24 105.51(12) . . ?
C27 C28 C30 130.24(12) . . ?
N24 C28 C30 124.25(12) . . ?
C26 C29 H291 109.5 . . ?
C26 C29 H292 109.5 . . ?
H291 C29 H292 109.5 . . ?
C26 C29 H293 109.5 . . ?
H291 C29 H293 109.5 . . ?
H292 C29 H293 109.5 . . ?
C28 C30 H301 109.5 . . ?
C28 C30 H302 109.5 . . ?
H301 C30 H302 109.5 . . ?
C28 C30 H303 109.5 . . ?
H301 C30 H303 109.5 . . ?
H302 C30 H303 109.5 . . ?
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
N1 C15 1.3250(16) . ?
N1 N2 1.3371(15) . ?
N2 C3 1.3301(16) . ?
N17 N18 1.3686(14) . ?
N17 C21 1.3822(16) . ?
N17 C3 1.4096(16) . ?
N18 C19 1.3231(17) . ?
N24 N25 1.3730(15) . ?
N24 C28 1.3759(16) . ?
N24 C15 1.4150(16) . ?
N25 C26 1.3284(17) . ?
C3 C4 1.4094(17) . ?
C4 C14 1.4166(17) . ?
C4 C5 1.4845(16) . ?
C5 C6 1.3838(17) . ?
C5 C16 1.4146(17) . ?
C6 C7 1.4136(18) . ?
C6 H6 0.9500 . ?
C7 C8 1.3733(19) . ?
C7 H7 0.9500 . ?
C8 C9 1.4175(18) . ?
C8 H8 0.9500 . ?
C9 C16 1.4045(17) . ?
C9 C10 1.4145(18) . ?
C10 C11 1.3726(19) . ?
C10 H10 0.9500 . ?
C11 C12 1.4140(18) . ?
C11 H11 0.9500 . ?
C12 C13 1.3771(18) . ?
C12 H12 0.9500 . ?
C13 C16 1.4088(17) . ?
C13 C14 1.4682(16) . ?
C14 C15 1.3981(17) . ?
C19 C20 1.404(2) . ?
C19 C22 1.499(2) . ?
C20 C21 1.3682(19) . ?
C20 H20 0.9500 . ?
C21 C23 1.4891(19) . ?
C22 H221 0.9800 . ?
C22 H222 0.9800 . ?
C22 H223 0.9800 . ?
C23 H231 0.9800 . ?
C23 H232 0.9800 . ?
C23 H233 0.9800 . ?
C26 C27 1.407(2) . ?
C26 C29 1.500(2) . ?
C27 C28 1.3628(19) . ?
C27 H27 0.9500 . ?
C28 C30 1.4901(19) . ?
C29 H291 0.9800 . ?
C29 H292 0.9800 . ?
C29 H293 0.9800 . ?
C30 H301 0.9800 . ?
C30 H302 0.9800 . ?
C30 H303 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_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
C15 N1 N2 C3 -3.97(18) . . . . ?
C21 N17 N18 C19 0.91(14) . . . . ?
C3 N17 N18 C19 179.26(11) . . . . ?
C28 N24 N25 C26 1.02(14) . . . . ?
C15 N24 N25 C26 175.78(11) . . . . ?
N1 N2 C3 C4 3.50(18) . . . . ?
N1 N2 C3 N17 -177.70(10) . . . . ?
N18 N17 C3 N2 -158.35(11) . . . . ?
C21 N17 C3 N2 19.66(18) . . . . ?
N18 N17 C3 C4 20.41(17) . . . . ?
C21 N17 C3 C4 -161.58(12) . . . . ?
N2 C3 C4 C14 0.05(17) . . . . ?
N17 C3 C4 C14 -178.59(11) . . . . ?
N2 C3 C4 C5 177.26(13) . . . . ?
N17 C3 C4 C5 -1.4(2) . . . . ?
C3 C4 C5 C6 4.4(3) . . . . ?
C14 C4 C5 C6 -178.19(14) . . . . ?
C3 C4 C5 C16 -175.97(13) . . . . ?
C14 C4 C5 C16 1.39(12) . . . . ?
C16 C5 C6 C7 0.67(18) . . . . ?
C4 C5 C6 C7 -179.78(13) . . . . ?
C5 C6 C7 C8 0.7(2) . . . . ?
C6 C7 C8 C9 -1.1(2) . . . . ?
C7 C8 C9 C16 0.01(18) . . . . ?
C7 C8 C9 C10 178.83(13) . . . . ?
C16 C9 C10 C11 -0.39(18) . . . . ?
C8 C9 C10 C11 -179.20(12) . . . . ?
C9 C10 C11 C12 -0.5(2) . . . . ?
C10 C11 C12 C13 0.37(19) . . . . ?
C11 C12 C13 C16 0.64(18) . . . . ?
C11 C12 C13 C14 177.80(13) . . . . ?
C3 C4 C14 C15 -2.91(16) . . . . ?
C5 C4 C14 C15 179.09(10) . . . . ?
C3 C4 C14 C13 176.26(10) . . . . ?
C5 C4 C14 C13 -1.74(13) . . . . ?
C12 C13 C14 C15 3.0(2) . . . . ?
C16 C13 C14 C15 -179.60(13) . . . . ?
C12 C13 C14 C4 -176.02(13) . . . . ?
C16 C13 C14 C4 1.40(13) . . . . ?
N2 N1 C15 C14 0.91(18) . . . . ?
N2 N1 C15 N24 -178.66(10) . . . . ?
C4 C14 C15 N1 2.56(18) . . . . ?
C13 C14 C15 N1 -176.38(12) . . . . ?
C4 C14 C15 N24 -177.93(11) . . . . ?
C13 C14 C15 N24 3.1(2) . . . . ?
N25 N24 C15 N1 -134.92(12) . . . . ?
C28 N24 C15 N1 38.93(17) . . . . ?
N25 N24 C15 C14 45.53(17) . . . . ?
C28 N24 C15 C14 -140.63(13) . . . . ?
C10 C9 C16 C13 1.45(18) . . . . ?
C8 C9 C16 C13 -179.60(11) . . . . ?
C10 C9 C16 C5 -177.48(11) . . . . ?
C8 C9 C16 C5 1.47(18) . . . . ?
C12 C13 C16 C9 -1.60(18) . . . . ?
C14 C13 C16 C9 -179.54(11) . . . . ?
C12 C13 C16 C5 177.44(11) . . . . ?
C14 C13 C16 C5 -0.50(13) . . . . ?
C6 C5 C16 C9 -1.82(18) . . . . ?
C4 C5 C16 C9 178.50(11) . . . . ?
C6 C5 C16 C13 179.15(11) . . . . ?
C4 C5 C16 C13 -0.53(13) . . . . ?
N17 N18 C19 C20 -0.70(15) . . . . ?
N17 N18 C19 C22 178.86(13) . . . . ?
N18 C19 C20 C21 0.26(16) . . . . ?
C22 C19 C20 C21 -179.25(15) . . . . ?
C19 C20 C21 N17 0.30(15) . . . . ?
C19 C20 C21 C23 179.19(14) . . . . ?
N18 N17 C21 C20 -0.76(14) . . . . ?
C3 N17 C21 C20 -178.88(12) . . . . ?
N18 N17 C21 C23 -179.67(13) . . . . ?
C3 N17 C21 C23 2.2(2) . . . . ?
N24 N25 C26 C27 -0.39(15) . . . . ?
N24 N25 C26 C29 179.80(12) . . . . ?
N25 C26 C27 C28 -0.35(16) . . . . ?
C29 C26 C27 C28 179.44(14) . . . . ?
C26 C27 C28 N24 0.93(15) . . . . ?
C26 C27 C28 C30 -178.90(14) . . . . ?
N25 N24 C28 C27 -1.24(14) . . . . ?
C15 N24 C28 C27 -175.46(12) . . . . ?
N25 N24 C28 C30 178.60(12) . . . . ?
C15 N24 C28 C30 4.4(2) . . . . ?
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 ChemSpider 25942876
