#------------------------------------------------------------------------------
#$Date: 2022-11-08 10:57:12 +0200 (Tue, 08 Nov 2022) $
#$Revision: 279084 $
#$URL: file:///home/coder/svn-repositories/cod/cif/8/10/60/8106005.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_8106005
loop_
_publ_author_name
'Cui, Hao'
'Yan, Xin-Ting'
'Chen, Wenya'
'Yang, Tao'
_publ_section_title
;
 The crystal structure of
 2,4,6-tris[4-(1H-imidazol-1-yl)phenyl]-1,3,5-triazine ---
 dimethylformamide (1/1), C33H28N10O
;
_journal_issue                   6
_journal_name_full
'Zeitschrift für Kristallographie - New Crystal Structures'
_journal_page_first              1275
_journal_page_last               1278
_journal_paper_doi               10.1515/ncrs-2019-0401
_journal_volume                  234
_journal_year                    2019
_chemical_formula_moiety         'C30 H21 N9, C3 H7 N O'
_chemical_formula_sum            'C33 H28 N10 O'
_chemical_formula_weight         580.65
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_atom_sites_solution_hydrogens   geom
_cell_angle_alpha                113.219(6)
_cell_angle_beta                 96.735(5)
_cell_angle_gamma                115.259(6)
_cell_formula_units_Z            4
_cell_length_a                   14.7148(9)
_cell_length_b                   15.5185(10)
_cell_length_c                   16.1128(9)
_cell_measurement_reflns_used    5809
_cell_measurement_temperature    150(2)
_cell_measurement_theta_max      62.4968
_cell_measurement_theta_min      3.1752
_cell_volume                     2872.0(4)
_computing_structure_refinement  'SHELXL-2018/3 (Sheldrick, 2018)'
_diffrn_ambient_temperature      150(2)
_diffrn_measured_fraction_theta_full 0.973
_diffrn_measured_fraction_theta_max 0.973
_diffrn_measurement_device_type  'Xcalibur, Sapphire3, Gemini ultra'
_diffrn_measurement_method       'ω scans'
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54178
_diffrn_reflns_av_R_equivalents  0.0294
_diffrn_reflns_av_unetI/netI     0.0508
_diffrn_reflns_Laue_measured_fraction_full 0.973
_diffrn_reflns_Laue_measured_fraction_max 0.973
_diffrn_reflns_limit_h_max       16
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_l_max       14
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_number            14896
_diffrn_reflns_point_group_measured_fraction_full 0.973
_diffrn_reflns_point_group_measured_fraction_max 0.973
_diffrn_reflns_theta_full        62.584
_diffrn_reflns_theta_max         62.584
_diffrn_reflns_theta_min         3.178
_diffrn_source                   'Enhance Ultra (Cu) X-ray Source'
_diffrn_standards_decay_%        -
_diffrn_standards_interval_count -
_diffrn_standards_interval_time  -
_diffrn_standards_number         -
_exptl_absorpt_coefficient_mu    0.699
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.99038
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
CrysAlisPro, Oxford Diffraction Ltd.,
Version 1.171.33.66 (release 28-04-2010 CrysAlis171 .NET)
(compiled Apr 28 2010,14:27:37)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.343
_exptl_crystal_description       block
_exptl_crystal_F_000             1216
_exptl_crystal_size_max          0.250
_exptl_crystal_size_mid          0.200
_exptl_crystal_size_min          0.100
_refine_diff_density_max         0.569
_refine_diff_density_min         -0.256
_refine_diff_density_rms         0.046
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.955
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     797
_refine_ls_number_reflns         8933
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.955
_refine_ls_R_factor_all          0.0589
_refine_ls_R_factor_gt           0.0426
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0644P)²] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1040
_refine_ls_wR_factor_ref         0.1108
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                6705
_reflns_number_total             8933
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            suppl_ncrs-2019-0401_suppl.cif
_cod_data_source_block           1
_cod_original_cell_volume        2872.0(3)
_cod_database_code               8106005
_shelx_space_group_comment
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_shelx_estimated_absorpt_t_min   0.845
_shelx_estimated_absorpt_t_max   0.933
loop_
_space_group_symop_operation_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_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
O1 O 0.57172(17) 0.65629(15) 0.12856(14) 0.0652(5) Uani 1 1 d . . . . .
O2 O -0.13790(13) 0.45860(15) 0.39976(14) 0.0618(5) Uani 1 1 d . . . . .
N19 N 0.42517(18) 0.49117(17) 0.08459(16) 0.0574(5) Uani 1 1 d . . . . .
N20 N 0.03734(14) 0.56812(14) 0.42334(13) 0.0408(4) Uani 1 1 d . . . . .
N1 N 0.18539(12) 0.81656(12) 0.28446(10) 0.0250(3) Uani 1 1 d . . . . .
N2 N 0.13234(12) 0.75775(12) 0.11714(10) 0.0264(3) Uani 1 1 d . . . . .
N3 N 0.29172(12) 0.92712(12) 0.22555(10) 0.0251(3) Uani 1 1 d . . . . .
N4 N 0.33311(12) 0.90493(12) -0.17205(10) 0.0262(3) Uani 1 1 d . . . . .
N5 N 0.41895(13) 0.98654(13) -0.24828(11) 0.0332(4) Uani 1 1 d . . . . .
N6 N 0.58439(12) 1.22399(12) 0.67060(10) 0.0266(3) Uani 1 1 d . . . . .
N7 N 0.67483(13) 1.30260(13) 0.82606(11) 0.0343(4) Uani 1 1 d . . . . .
N8 N -0.27986(12) 0.38495(12) 0.12348(10) 0.0254(3) Uani 1 1 d . . . . .
N9 N -0.44086(13) 0.23301(13) 0.04350(11) 0.0319(4) Uani 1 1 d . . . . .
N10 N 0.66604(12) 0.79338(12) 0.76520(11) 0.0281(3) Uani 1 1 d . . . . .
N11 N 0.73057(12) 0.84086(12) 0.65195(11) 0.0264(3) Uani 1 1 d . . . . .
N12 N 0.84019(12) 0.94697(12) 0.81649(10) 0.0258(3) Uani 1 1 d . . . . .
N13 N 0.26859(12) 0.42451(12) 0.36708(11) 0.0284(3) Uani 1 1 d . . . . .
N14 N 0.11009(14) 0.27015(14) 0.28639(12) 0.0394(4) Uani 1 1 d . . . . .
N15 N 1.13073(12) 1.22249(12) 0.64105(11) 0.0279(3) Uani 1 1 d . . . . .
N16 N 1.19590(14) 1.31998(14) 0.56949(12) 0.0373(4) Uani 1 1 d . . . . .
N17 N 0.81651(12) 0.98023(12) 1.22184(11) 0.0269(3) Uani 1 1 d . . . . .
N18 N 0.88457(14) 1.07598(15) 1.38159(12) 0.0394(4) Uani 1 1 d . . . . .
C61 C 0.4852(3) 0.4547(2) 0.1257(2) 0.0711(8) Uani 1 1 d . . . . .
H61A H 0.459711 0.441877 0.175650 0.107 Uiso 1 1 calc R U . . .
H61B H 0.561418 0.511108 0.154014 0.107 Uiso 1 1 calc R U . . .
H61C H 0.474715 0.386431 0.075093 0.107 Uiso 1 1 calc R U . . .
C62 C 0.3122(2) 0.4139(2) 0.0313(2) 0.0683(7) Uani 1 1 d . . . . .
H62A H 0.302464 0.351476 -0.026111 0.102 Uiso 1 1 calc R U . . .
H62B H 0.279984 0.449950 0.012106 0.102 Uiso 1 1 calc R U . . .
H62C H 0.277469 0.388072 0.071943 0.102 Uiso 1 1 calc R U . . .
C63 C 0.4753(2) 0.5884(2) 0.08997(19) 0.0577(6) Uani 1 1 d . . . . .
H63 H 0.432399 0.607476 0.061075 0.069 Uiso 1 1 calc R U . . .
C64 C 0.0399(3) 0.4805(2) 0.3471(2) 0.0679(7) Uani 1 1 d . . . . .
H64A H -0.028026 0.411503 0.322208 0.102 Uiso 1 1 calc R U . . .
H64B H 0.098797 0.473589 0.372250 0.102 Uiso 1 1 calc R U . . .
H64C H 0.050489 0.497224 0.295072 0.102 Uiso 1 1 calc R U . . .
C65 C 0.1345(2) 0.6728(2) 0.4774(2) 0.0610(7) Uani 1 1 d . . . . .
H65A H 0.188434 0.666155 0.511739 0.092 Uiso 1 1 calc R U . . .
H65B H 0.120824 0.725479 0.523746 0.092 Uiso 1 1 calc R U . . .
H65C H 0.160634 0.698506 0.433520 0.092 Uiso 1 1 calc R U . . .
C66 C -0.0528(2) 0.5488(2) 0.44358(18) 0.0500(6) Uani 1 1 d . . . . .
H66 H -0.051626 0.607718 0.494609 0.060 Uiso 1 1 calc R U . . .
C1 C 0.27136(14) 0.90635(14) 0.29663(12) 0.0229(4) Uani 1 1 d . . . . .
C2 C 0.35099(14) 0.98837(14) 0.39442(12) 0.0238(4) Uani 1 1 d . . . . .
C3 C 0.34123(15) 0.97373(15) 0.47335(13) 0.0284(4) Uani 1 1 d . . . . .
H3 H 0.280948 0.909822 0.464818 0.034 Uiso 1 1 calc R U . . .
C4 C 0.41736(15) 1.05017(15) 0.56398(13) 0.0281(4) Uani 1 1 d . . . . .
H4 H 0.409874 1.038029 0.616795 0.034 Uiso 1 1 calc R U . . .
C5 C 0.50493(14) 1.14489(14) 0.57752(12) 0.0242(4) Uani 1 1 d . . . . .
C6 C 0.51487(15) 1.16109(15) 0.49943(13) 0.0291(4) Uani 1 1 d . . . . .
H6 H 0.574145 1.225936 0.508279 0.035 Uiso 1 1 calc R U . . .
C7 C 0.43923(15) 1.08363(15) 0.40921(13) 0.0277(4) Uani 1 1 d . . . . .
H7 H 0.447392 1.095363 0.356287 0.033 Uiso 1 1 calc R U . . .
C8 C 0.59155(16) 1.21552(16) 0.75199(13) 0.0311(4) Uani 1 1 d . . . . .
H8 H 0.541839 1.153561 0.754743 0.037 Uiso 1 1 calc R U . . .
C9 C 0.72516(17) 1.37061(16) 0.79081(14) 0.0367(5) Uani 1 1 d . . . . .
H9 H 0.788826 1.440580 0.827769 0.044 Uiso 1 1 calc R U . . .
C10 C 0.67181(17) 1.32443(16) 0.69669(14) 0.0368(5) Uani 1 1 d . . . . .
H10 H 0.690638 1.354986 0.656162 0.044 Uiso 1 1 calc R U . . .
C11 C 0.22200(14) 0.84917(14) 0.13733(12) 0.0232(4) Uani 1 1 d . . . . .
C12 C 0.24718(14) 0.86438(14) 0.05610(12) 0.0240(4) Uani 1 1 d . . . . .
C13 C 0.34150(14) 0.95655(15) 0.07384(13) 0.0261(4) Uani 1 1 d . . . . .
H13 H 0.387358 1.010510 0.138280 0.031 Uiso 1 1 calc R U . . .
C14 C 0.36926(14) 0.97060(14) -0.00058(13) 0.0259(4) Uani 1 1 d . . . . .
H14 H 0.433710 1.033906 0.012618 0.031 Uiso 1 1 calc R U . . .
C15 C 0.30256(15) 0.89173(15) -0.09521(13) 0.0251(4) Uani 1 1 d . . . . .
C16 C 0.20743(15) 0.80054(15) -0.11398(13) 0.0302(4) Uani 1 1 d . . . . .
H16 H 0.161036 0.747431 -0.178432 0.036 Uiso 1 1 calc R U . . .
C17 C 0.18021(15) 0.78698(15) -0.03900(13) 0.0299(4) Uani 1 1 d . . . . .
H17 H 0.115131 0.724228 -0.052326 0.036 Uiso 1 1 calc R U . . .
C18 C 0.40805(15) 1.00043(15) -0.16532(13) 0.0279(4) Uani 1 1 d . . . . .
H18 H 0.447515 1.068774 -0.107219 0.033 Uiso 1 1 calc R U . . .
C19 C 0.34822(17) 0.87675(17) -0.31157(14) 0.0373(5) Uani 1 1 d . . . . .
H19 H 0.338119 0.841866 -0.378168 0.045 Uiso 1 1 calc R U . . .
C20 C 0.29509(17) 0.82496(16) -0.26724(13) 0.0353(5) Uani 1 1 d . . . . .
H20 H 0.242573 0.749412 -0.295449 0.042 Uiso 1 1 calc R U . . .
C21 C 0.11747(14) 0.74657(14) 0.19359(12) 0.0235(4) Uani 1 1 d . . . . .
C22 C 0.01673(14) 0.64977(14) 0.17524(13) 0.0252(4) Uani 1 1 d . . . . .
C23 C -0.05067(16) 0.56667(16) 0.08205(13) 0.0315(4) Uani 1 1 d . . . . .
H23 H -0.030142 0.570986 0.029420 0.038 Uiso 1 1 calc R U . . .
C24 C -0.14665(16) 0.47810(16) 0.06423(14) 0.0335(4) Uani 1 1 d . . . . .
H24 H -0.190309 0.420869 0.000127 0.040 Uiso 1 1 calc R U . . .
C25 C -0.17904(14) 0.47313(14) 0.14062(13) 0.0251(4) Uani 1 1 d . . . . .
C26 C -0.11287(15) 0.55588(15) 0.23432(13) 0.0281(4) Uani 1 1 d . . . . .
H26 H -0.134818 0.552991 0.286790 0.034 Uiso 1 1 calc R U . . .
C27 C -0.01544(15) 0.64213(15) 0.25122(13) 0.0281(4) Uani 1 1 d . . . . .
H27 H 0.030257 0.696988 0.315501 0.034 Uiso 1 1 calc R U . . .
C28 C -0.35669(15) 0.30204(15) 0.03566(13) 0.0280(4) Uani 1 1 d . . . . .
H28 H -0.349511 0.295548 -0.024016 0.034 Uiso 1 1 calc R U . . .
C29 C -0.41702(16) 0.27148(16) 0.14119(14) 0.0326(4) Uani 1 1 d . . . . .
H29 H -0.463154 0.237423 0.169412 0.039 Uiso 1 1 calc R U . . .
C30 C -0.31959(16) 0.36382(16) 0.19136(14) 0.0319(4) Uani 1 1 d . . . . .
H30 H -0.285396 0.405616 0.259218 0.038 Uiso 1 1 calc R U . . .
C31 C 0.76109(14) 0.87840(14) 0.83269(13) 0.0247(4) Uani 1 1 d . . . . .
C32 C 0.77861(14) 0.90034(14) 0.93283(13) 0.0254(4) Uani 1 1 d . . . . .
C33 C 0.69888(15) 0.83522(15) 0.95673(13) 0.0289(4) Uani 1 1 d . . . . .
H33 H 0.634737 0.772494 0.907146 0.035 Uiso 1 1 calc R U . . .
C34 C 0.71158(15) 0.86033(15) 1.05103(13) 0.0294(4) Uani 1 1 d . . . . .
H34 H 0.656193 0.815256 1.065907 0.035 Uiso 1 1 calc R U . . .
C35 C 0.80511(14) 0.95132(15) 1.12436(13) 0.0258(4) Uani 1 1 d . . . . .
C36 C 0.88713(15) 1.01502(16) 1.10170(13) 0.0308(4) Uani 1 1 d . . . . .
H36 H 0.952543 1.075592 1.151164 0.037 Uiso 1 1 calc R U . . .
C37 C 0.87317(15) 0.98997(16) 1.00721(14) 0.0301(4) Uani 1 1 d . . . . .
H37 H 0.929040 1.034619 0.992437 0.036 Uiso 1 1 calc R U . . .
C38 C 0.89546(16) 1.07536(17) 1.30185(14) 0.0348(4) Uani 1 1 d . . . . .
H38 H 0.951608 1.134095 1.299775 0.042 Uiso 1 1 calc R U . . .
C39 C 0.79441(16) 0.97643(18) 1.35205(14) 0.0356(5) Uani 1 1 d . . . . .
H39 H 0.766215 0.952986 1.394365 0.043 Uiso 1 1 calc R U . . .
C40 C 0.75129(16) 0.91650(17) 1.25532(14) 0.0321(4) Uani 1 1 d . . . . .
H40 H 0.689129 0.845393 1.217886 0.038 Uiso 1 1 calc R U . . .
C41 C 0.82059(14) 0.92540(14) 0.72493(12) 0.0244(4) Uani 1 1 d . . . . .
C42 C 0.90241(14) 1.00157(15) 0.70320(13) 0.0254(4) Uani 1 1 d . . . . .
C43 C 0.88365(15) 0.98521(15) 0.60973(13) 0.0275(4) Uani 1 1 d . . . . .
H43 H 0.819010 0.923818 0.559790 0.033 Uiso 1 1 calc R U . . .
C44 C 0.95871(15) 1.05796(15) 0.58959(13) 0.0275(4) Uani 1 1 d . . . . .
H44 H 0.945359 1.046761 0.525979 0.033 Uiso 1 1 calc R U . . .
C45 C 1.05343(15) 1.14723(15) 0.66203(13) 0.0262(4) Uani 1 1 d . . . . .
C46 C 1.07278(15) 1.16514(15) 0.75557(13) 0.0285(4) Uani 1 1 d . . . . .
H46 H 1.137264 1.226935 0.805421 0.034 Uiso 1 1 calc R U . . .
C47 C 0.99723(15) 1.09212(15) 0.77548(13) 0.0275(4) Uani 1 1 d . . . . .
H47 H 1.010371 1.104056 0.839328 0.033 Uiso 1 1 calc R U . . .
C48 C 1.10997(16) 1.24122(15) 0.56664(13) 0.0311(4) Uani 1 1 d . . . . .
H48 H 1.041565 1.201866 0.518799 0.037 Uiso 1 1 calc R U . . .
C49 C 1.27594(16) 1.35337(17) 0.64857(14) 0.0362(5) Uani 1 1 d . . . . .
H49 H 1.348275 1.409706 0.668960 0.043 Uiso 1 1 calc R U . . .
C50 C 1.23790(15) 1.29520(16) 0.69359(14) 0.0341(4) Uani 1 1 d . . . . .
H50 H 1.277184 1.303011 0.749898 0.041 Uiso 1 1 calc R U . . .
C51 C 0.65583(15) 0.77769(14) 0.67564(13) 0.0257(4) Uani 1 1 d . . . . .
C52 C 0.55456(15) 0.68584(15) 0.59667(13) 0.0268(4) Uani 1 1 d . . . . .
C53 C 0.45988(16) 0.63714(16) 0.61373(13) 0.0328(4) Uani 1 1 d . . . . .
H53 H 0.460454 0.661976 0.678036 0.039 Uiso 1 1 calc R U . . .
C54 C 0.36510(16) 0.55334(16) 0.53880(14) 0.0340(4) Uani 1 1 d . . . . .
H54 H 0.300662 0.522983 0.551463 0.041 Uiso 1 1 calc R U . . .
C55 C 0.36481(15) 0.51389(14) 0.44491(13) 0.0275(4) Uani 1 1 d . . . . .
C56 C 0.45833(16) 0.56092(16) 0.42677(13) 0.0323(4) Uani 1 1 d . . . . .
H56 H 0.458199 0.533973 0.362574 0.039 Uiso 1 1 calc R U . . .
C57 C 0.55182(15) 0.64698(16) 0.50191(14) 0.0322(4) Uani 1 1 d . . . . .
H57 H 0.615164 0.680103 0.488685 0.039 Uiso 1 1 calc R U . . .
C58 C 0.18675(16) 0.34059(15) 0.36996(14) 0.0330(4) Uani 1 1 d . . . . .
H58 H 0.185701 0.334198 0.426144 0.040 Uiso 1 1 calc R U . . .
C59 C 0.14318(17) 0.30950(17) 0.22578(14) 0.0392(5) Uani 1 1 d . . . . .
H59 H 0.103465 0.275424 0.159644 0.047 Uiso 1 1 calc R U . . .
C60 C 0.24011(17) 0.40346(16) 0.27322(14) 0.0351(5) Uani 1 1 d . . . . .
H60 H 0.280265 0.446127 0.247358 0.042 Uiso 1 1 calc R U . . .
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0181 0.0091 '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 0.0311 0.0180 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0492 0.0322 '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
C63 N19 C62 122.1(2) . .
C63 N19 C61 120.3(2) . .
C62 N19 C61 117.3(2) . .
C66 N20 C65 122.2(2) . .
C66 N20 C64 120.0(2) . .
C65 N20 C64 117.8(2) . .
C21 N1 C1 114.82(14) . .
C21 N2 C11 114.79(15) . .
C11 N3 C1 115.64(15) . .
C18 N4 C20 106.26(14) . .
C18 N4 C15 126.26(15) . .
C20 N4 C15 127.47(15) . .
C18 N5 C19 104.67(15) . .
C8 N6 C10 105.48(15) . .
C8 N6 C5 127.43(15) . .
C10 N6 C5 127.07(15) . .
C8 N7 C9 104.80(15) . .
C28 N8 C30 106.02(14) . .
C28 N8 C25 126.74(14) . .
C30 N8 C25 127.23(15) . .
C28 N9 C29 104.73(15) . .
C51 N10 C31 114.81(15) . .
C51 N11 C41 115.62(15) . .
C31 N12 C41 115.32(15) . .
C58 N13 C60 106.03(15) . .
C58 N13 C55 126.67(15) . .
C60 N13 C55 127.28(15) . .
C58 N14 C59 105.15(16) . .
C48 N15 C50 106.29(15) . .
C48 N15 C45 125.86(16) . .
C50 N15 C45 127.72(15) . .
C48 N16 C49 105.09(16) . .
C38 N17 C40 106.03(15) . .
C38 N17 C35 127.10(15) . .
C40 N17 C35 126.85(16) . .
C38 N18 C39 104.81(17) . .
N19 C61 H61A 109.5 . .
N19 C61 H61B 109.5 . .
H61A C61 H61B 109.5 . .
N19 C61 H61C 109.5 . .
H61A C61 H61C 109.5 . .
H61B C61 H61C 109.5 . .
N19 C62 H62A 109.5 . .
N19 C62 H62B 109.5 . .
H62A C62 H62B 109.5 . .
N19 C62 H62C 109.5 . .
H62A C62 H62C 109.5 . .
H62B C62 H62C 109.5 . .
O1 C63 N19 126.6(3) . .
O1 C63 H63 116.7 . .
N19 C63 H63 116.7 . .
N20 C64 H64A 109.5 . .
N20 C64 H64B 109.5 . .
H64A C64 H64B 109.5 . .
N20 C64 H64C 109.5 . .
H64A C64 H64C 109.5 . .
H64B C64 H64C 109.5 . .
N20 C65 H65A 109.5 . .
N20 C65 H65B 109.5 . .
H65A C65 H65B 109.5 . .
N20 C65 H65C 109.5 . .
H65A C65 H65C 109.5 . .
H65B C65 H65C 109.5 . .
O2 C66 N20 124.1(2) . .
O2 C66 H66 118.0 . .
N20 C66 H66 118.0 . .
N3 C1 N1 124.50(16) . .
N3 C1 C2 116.71(15) . .
N1 C1 C2 118.78(14) . .
C3 C2 C7 118.11(17) . .
C3 C2 C1 122.10(16) . .
C7 C2 C1 119.79(15) . .
C4 C3 C2 121.42(17) . .
C4 C3 H3 119.3 . .
C2 C3 H3 119.3 . .
C3 C4 C5 119.73(16) . .
C3 C4 H4 120.1 . .
C5 C4 H4 120.1 . .
C6 C5 C4 119.38(16) . .
C6 C5 N6 120.39(16) . .
C4 C5 N6 120.23(15) . .
C7 C6 C5 120.36(16) . .
C7 C6 H6 119.8 . .
C5 C6 H6 119.8 . .
C6 C7 C2 120.99(16) . .
C6 C7 H7 119.5 . .
C2 C7 H7 119.5 . .
N7 C8 N6 112.45(16) . .
N7 C8 H8 123.8 . .
N6 C8 H8 123.8 . .
C10 C9 N7 110.68(18) . .
C10 C9 H9 124.7 . .
N7 C9 H9 124.7 . .
C9 C10 N6 106.58(17) . .
C9 C10 H10 126.7 . .
N6 C10 H10 126.7 . .
N3 C11 N2 124.80(15) . .
N3 C11 C12 117.20(15) . .
N2 C11 C12 117.99(15) . .
C13 C12 C17 118.52(16) . .
C13 C12 C11 119.76(16) . .
C17 C12 C11 121.69(16) . .
C14 C13 C12 121.05(17) . .
C14 C13 H13 119.5 . .
C12 C13 H13 119.5 . .
C13 C14 C15 119.78(16) . .
C13 C14 H14 120.1 . .
C15 C14 H14 120.1 . .
C16 C15 C14 119.85(16) . .
C16 C15 N4 120.54(16) . .
C14 C15 N4 119.61(16) . .
C17 C16 C15 120.02(17) . .
C17 C16 H16 120.0 . .
C15 C16 H16 120.0 . .
C16 C17 C12 120.76(17) . .
C16 C17 H17 119.6 . .
C12 C17 H17 119.6 . .
N5 C18 N4 112.09(16) . .
N5 C18 H18 124.0 . .
N4 C18 H18 124.0 . .
C20 C19 N5 111.51(16) . .
C20 C19 H19 124.2 . .
N5 C19 H19 124.2 . .
C19 C20 N4 105.47(17) . .
C19 C20 H20 127.3 . .
N4 C20 H20 127.3 . .
N2 C21 N1 125.27(16) . .
N2 C21 C22 116.58(16) . .
N1 C21 C22 118.13(15) . .
C23 C22 C27 118.20(16) . .
C23 C22 C21 121.18(16) . .
C27 C22 C21 120.55(16) . .
C24 C23 C22 121.55(17) . .
C24 C23 H23 119.2 . .
C22 C23 H23 119.2 . .
C23 C24 C25 119.58(17) . .
C23 C24 H24 120.2 . .
C25 C24 H24 120.2 . .
C24 C25 C26 119.62(16) . .
C24 C25 N8 120.41(16) . .
C26 C25 N8 119.97(15) . .
C27 C26 C25 120.15(16) . .
C27 C26 H26 119.9 . .
C25 C26 H26 119.9 . .
C26 C27 C22 120.84(17) . .
C26 C27 H27 119.6 . .
C22 C27 H27 119.6 . .
N9 C28 N8 112.30(15) . .
N9 C28 H28 123.8 . .
N8 C28 H28 123.8 . .
C30 C29 N9 111.17(16) . .
C30 C29 H29 124.4 . .
N9 C29 H29 124.4 . .
C29 C30 N8 105.76(16) . .
C29 C30 H30 127.1 . .
N8 C30 H30 127.1 . .
N12 C31 N10 124.91(16) . .
N12 C31 C32 117.09(16) . .
N10 C31 C32 117.96(15) . .
C33 C32 C37 117.91(16) . .
C33 C32 C31 120.90(16) . .
C37 C32 C31 121.12(16) . .
C34 C33 C32 121.14(17) . .
C34 C33 H33 119.4 . .
C32 C33 H33 119.4 . .
C33 C34 C35 120.19(16) . .
C33 C34 H34 119.9 . .
C35 C34 H34 119.9 . .
C34 C35 C36 119.52(16) . .
C34 C35 N17 120.33(16) . .
C36 C35 N17 120.15(16) . .
C37 C36 C35 119.82(17) . .
C37 C36 H36 120.1 . .
C35 C36 H36 120.1 . .
C36 C37 C32 121.36(16) . .
C36 C37 H37 119.3 . .
C32 C37 H37 119.3 . .
N18 C38 N17 112.18(17) . .
N18 C38 H38 123.9 . .
N17 C38 H38 123.9 . .
C40 C39 N18 111.28(17) . .
C40 C39 H39 124.4 . .
N18 C39 H39 124.4 . .
C39 C40 N17 105.70(18) . .
C39 C40 H40 127.1 . .
N17 C40 H40 127.1 . .
N11 C41 N12 124.52(15) . .
N11 C41 C42 117.50(15) . .
N12 C41 C42 117.96(16) . .
C47 C42 C43 119.09(16) . .
C47 C42 C41 120.81(16) . .
C43 C42 C41 120.06(16) . .
C44 C43 C42 120.27(17) . .
C44 C43 H43 119.9 . .
C42 C43 H43 119.9 . .
C43 C44 C45 120.10(16) . .
C43 C44 H44 120.0 . .
C45 C44 H44 120.0 . .
C44 C45 C46 120.28(16) . .
C44 C45 N15 119.97(15) . .
C46 C45 N15 119.74(16) . .
C47 C46 C45 119.43(17) . .
C47 C46 H46 120.3 . .
C45 C46 H46 120.3 . .
C46 C47 C42 120.82(16) . .
C46 C47 H47 119.6 . .
C42 C47 H47 119.6 . .
N16 C48 N15 111.83(17) . .
N16 C48 H48 124.1 . .
N15 C48 H48 124.1 . .
C50 C49 N16 110.89(17) . .
C50 C49 H49 124.6 . .
N16 C49 H49 124.6 . .
C49 C50 N15 105.89(17) . .
C49 C50 H50 127.1 . .
N15 C50 H50 127.1 . .
N11 C51 N10 124.75(17) . .
N11 C51 C52 116.54(15) . .
N10 C51 C52 118.69(15) . .
C57 C52 C53 118.23(17) . .
C57 C52 C51 119.78(16) . .
C53 C52 C51 121.98(16) . .
C54 C53 C52 121.25(17) . .
C54 C53 H53 119.4 . .
C52 C53 H53 119.4 . .
C53 C54 C55 119.52(17) . .
C53 C54 H54 120.2 . .
C55 C54 H54 120.2 . .
C56 C55 C54 119.91(17) . .
C56 C55 N13 119.86(16) . .
C54 C55 N13 120.23(16) . .
C57 C56 C55 120.07(17) . .
C57 C56 H56 120.0 . .
C55 C56 H56 120.0 . .
C56 C57 C52 120.96(17) . .
C56 C57 H57 119.5 . .
C52 C57 H57 119.5 . .
N14 C58 N13 112.19(17) . .
N14 C58 H58 123.9 . .
N13 C58 H58 123.9 . .
C60 C59 N14 110.77(17) . .
C60 C59 H59 124.6 . .
N14 C59 H59 124.6 . .
C59 C60 N13 105.85(16) . .
C59 C60 H60 127.1 . .
N13 C60 H60 127.1 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
O1 C63 1.229(3) .
O2 C66 1.242(3) .
N19 C63 1.327(3) .
N19 C62 1.446(4) .
N19 C61 1.458(4) .
N20 C66 1.340(3) .
N20 C65 1.433(3) .
N20 C64 1.448(3) .
N1 C21 1.341(2) .
N1 C1 1.343(2) .
N2 C21 1.340(2) .
N2 C11 1.341(2) .
N3 C11 1.334(2) .
N3 C1 1.339(2) .
N4 C18 1.369(2) .
N4 C20 1.382(2) .
N4 C15 1.424(2) .
N5 C18 1.308(2) .
N5 C19 1.376(3) .
N6 C8 1.365(2) .
N6 C10 1.381(3) .
N6 C5 1.427(2) .
N7 C8 1.313(3) .
N7 C9 1.374(3) .
N8 C28 1.372(2) .
N8 C30 1.384(2) .
N8 C25 1.422(2) .
N9 C28 1.307(2) .
N9 C29 1.381(3) .
N10 C51 1.344(2) .
N10 C31 1.348(2) .
N11 C51 1.338(2) .
N11 C41 1.339(2) .
N12 C31 1.337(2) .
N12 C41 1.342(2) .
N13 C58 1.368(2) .
N13 C60 1.384(2) .
N13 C55 1.427(2) .
N14 C58 1.308(3) .
N14 C59 1.375(3) .
N15 C48 1.371(2) .
N15 C50 1.375(3) .
N15 C45 1.428(2) .
N16 C48 1.311(3) .
N16 C49 1.373(3) .
N17 C38 1.369(3) .
N17 C40 1.386(2) .
N17 C35 1.419(2) .
N18 C38 1.310(3) .
N18 C39 1.377(3) .
C61 H61A 0.9800 .
C61 H61B 0.9800 .
C61 H61C 0.9800 .
C62 H62A 0.9800 .
C62 H62B 0.9800 .
C62 H62C 0.9800 .
C63 H63 0.9500 .
C64 H64A 0.9800 .
C64 H64B 0.9800 .
C64 H64C 0.9800 .
C65 H65A 0.9800 .
C65 H65B 0.9800 .
C65 H65C 0.9800 .
C66 H66 0.9500 .
C1 C2 1.479(3) .
C2 C3 1.390(3) .
C2 C7 1.393(3) .
C3 C4 1.382(3) .
C3 H3 0.9500 .
C4 C5 1.390(3) .
C4 H4 0.9500 .
C5 C6 1.389(3) .
C6 C7 1.378(3) .
C6 H6 0.9500 .
C7 H7 0.9500 .
C8 H8 0.9500 .
C9 C10 1.347(3) .
C9 H9 0.9500 .
C10 H10 0.9500 .
C11 C12 1.479(2) .
C12 C13 1.394(3) .
C12 C17 1.395(3) .
C13 C14 1.377(3) .
C13 H13 0.9500 .
C14 C15 1.392(3) .
C14 H14 0.9500 .
C15 C16 1.388(3) .
C16 C17 1.381(3) .
C16 H16 0.9500 .
C17 H17 0.9500 .
C18 H18 0.9500 .
C19 C20 1.347(3) .
C19 H19 0.9500 .
C20 H20 0.9500 .
C21 C22 1.479(3) .
C22 C23 1.391(3) .
C22 C27 1.393(3) .
C23 C24 1.380(3) .
C23 H23 0.9500 .
C24 C25 1.389(3) .
C24 H24 0.9500 .
C25 C26 1.391(3) .
C26 C27 1.380(3) .
C26 H26 0.9500 .
C27 H27 0.9500 .
C28 H28 0.9500 .
C29 C30 1.351(3) .
C29 H29 0.9500 .
C30 H30 0.9500 .
C31 C32 1.477(3) .
C32 C33 1.395(3) .
C32 C37 1.396(3) .
C33 C34 1.378(3) .
C33 H33 0.9500 .
C34 C35 1.389(3) .
C34 H34 0.9500 .
C35 C36 1.392(3) .
C36 C37 1.380(3) .
C36 H36 0.9500 .
C37 H37 0.9500 .
C38 H38 0.9500 .
C39 C40 1.348(3) .
C39 H39 0.9500 .
C40 H40 0.9500 .
C41 C42 1.476(3) .
C42 C47 1.390(3) .
C42 C43 1.397(3) .
C43 C44 1.381(3) .
C43 H43 0.9500 .
C44 C45 1.386(3) .
C44 H44 0.9500 .
C45 C46 1.390(3) .
C46 C47 1.385(3) .
C46 H46 0.9500 .
C47 H47 0.9500 .
C48 H48 0.9500 .
C49 C50 1.355(3) .
C49 H49 0.9500 .
C50 H50 0.9500 .
C51 C52 1.478(3) .
C52 C57 1.391(3) .
C52 C53 1.394(3) .
C53 C54 1.383(3) .
C53 H53 0.9500 .
C54 C55 1.389(3) .
C54 H54 0.9500 .
C55 C56 1.385(3) .
C56 C57 1.382(3) .
C56 H56 0.9500 .
C57 H57 0.9500 .
C58 H58 0.9500 .
C59 C60 1.355(3) .
C59 H59 0.9500 .
C60 H60 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_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
C62 N19 C63 O1 -175.4(3) . . . .
C61 N19 C63 O1 -1.0(4) . . . .
C65 N20 C66 O2 -178.4(2) . . . .
C64 N20 C66 O2 -0.8(4) . . . .
C11 N3 C1 N1 -2.7(3) . . . .
C11 N3 C1 C2 176.38(15) . . . .
C21 N1 C1 N3 -0.9(2) . . . .
C21 N1 C1 C2 -179.92(15) . . . .
N3 C1 C2 C3 -177.11(17) . . . .
N1 C1 C2 C3 2.0(3) . . . .
N3 C1 C2 C7 2.7(2) . . . .
N1 C1 C2 C7 -178.18(16) . . . .
C7 C2 C3 C4 -1.0(3) . . . .
C1 C2 C3 C4 178.77(17) . . . .
C2 C3 C4 C5 1.1(3) . . . .
C3 C4 C5 C6 -0.3(3) . . . .
C3 C4 C5 N6 -179.56(17) . . . .
C8 N6 C5 C6 -173.36(18) . . . .
C10 N6 C5 C6 5.0(3) . . . .
C8 N6 C5 C4 5.9(3) . . . .
C10 N6 C5 C4 -175.71(19) . . . .
C4 C5 C6 C7 -0.6(3) . . . .
N6 C5 C6 C7 178.68(17) . . . .
C5 C6 C7 C2 0.7(3) . . . .
C3 C2 C7 C6 0.1(3) . . . .
C1 C2 C7 C6 -179.67(17) . . . .
C9 N7 C8 N6 -0.8(2) . . . .
C10 N6 C8 N7 0.9(2) . . . .
C5 N6 C8 N7 179.57(17) . . . .
C8 N7 C9 C10 0.3(2) . . . .
N7 C9 C10 N6 0.2(3) . . . .
C8 N6 C10 C9 -0.7(2) . . . .
C5 N6 C10 C9 -179.33(18) . . . .
C1 N3 C11 N2 4.3(3) . . . .
C1 N3 C11 C12 -174.43(15) . . . .
C21 N2 C11 N3 -2.1(3) . . . .
C21 N2 C11 C12 176.61(16) . . . .
N3 C11 C12 C13 1.0(3) . . . .
N2 C11 C12 C13 -177.83(16) . . . .
N3 C11 C12 C17 179.16(17) . . . .
N2 C11 C12 C17 0.3(3) . . . .
C17 C12 C13 C14 -1.0(3) . . . .
C11 C12 C13 C14 177.24(17) . . . .
C12 C13 C14 C15 -0.1(3) . . . .
C13 C14 C15 C16 1.3(3) . . . .
C13 C14 C15 N4 -178.12(17) . . . .
C18 N4 C15 C16 162.32(18) . . . .
C20 N4 C15 C16 -18.7(3) . . . .
C18 N4 C15 C14 -18.2(3) . . . .
C20 N4 C15 C14 160.71(19) . . . .
C14 C15 C16 C17 -1.4(3) . . . .
N4 C15 C16 C17 178.05(18) . . . .
C15 C16 C17 C12 0.3(3) . . . .
C13 C12 C17 C16 0.9(3) . . . .
C11 C12 C17 C16 -177.27(18) . . . .
C19 N5 C18 N4 -0.4(2) . . . .
C20 N4 C18 N5 0.5(2) . . . .
C15 N4 C18 N5 179.67(17) . . . .
C18 N5 C19 C20 0.1(2) . . . .
N5 C19 C20 N4 0.3(3) . . . .
C18 N4 C20 C19 -0.5(2) . . . .
C15 N4 C20 C19 -179.57(19) . . . .
C11 N2 C21 N1 -2.0(3) . . . .
C11 N2 C21 C22 176.89(15) . . . .
C1 N1 C21 N2 3.4(3) . . . .
C1 N1 C21 C22 -175.49(15) . . . .
N2 C21 C22 C23 9.5(3) . . . .
N1 C21 C22 C23 -171.56(17) . . . .
N2 C21 C22 C27 -167.51(17) . . . .
N1 C21 C22 C27 11.5(3) . . . .
C27 C22 C23 C24 -0.5(3) . . . .
C21 C22 C23 C24 -177.58(18) . . . .
C22 C23 C24 C25 2.3(3) . . . .
C23 C24 C25 C26 -1.9(3) . . . .
C23 C24 C25 N8 177.22(18) . . . .
C28 N8 C25 C24 -4.1(3) . . . .
C30 N8 C25 C24 174.43(19) . . . .
C28 N8 C25 C26 175.04(18) . . . .
C30 N8 C25 C26 -6.4(3) . . . .
C24 C25 C26 C27 -0.3(3) . . . .
N8 C25 C26 C27 -179.38(17) . . . .
C25 C26 C27 C22 2.1(3) . . . .
C23 C22 C27 C26 -1.7(3) . . . .
C21 C22 C27 C26 175.39(17) . . . .
C29 N9 C28 N8 -1.2(2) . . . .
C30 N8 C28 N9 1.2(2) . . . .
C25 N8 C28 N9 179.97(17) . . . .
C28 N9 C29 C30 0.8(2) . . . .
N9 C29 C30 N8 -0.1(2) . . . .
C28 N8 C30 C29 -0.6(2) . . . .
C25 N8 C30 C29 -179.41(17) . . . .
C41 N12 C31 N10 -1.1(3) . . . .
C41 N12 C31 C32 -178.96(15) . . . .
C51 N10 C31 N12 2.6(3) . . . .
C51 N10 C31 C32 -179.58(15) . . . .
N12 C31 C32 C33 177.75(16) . . . .
N10 C31 C32 C33 -0.3(3) . . . .
N12 C31 C32 C37 1.0(3) . . . .
N10 C31 C32 C37 -177.04(17) . . . .
C37 C32 C33 C34 1.9(3) . . . .
C31 C32 C33 C34 -174.94(17) . . . .
C32 C33 C34 C35 -0.4(3) . . . .
C33 C34 C35 C36 -1.9(3) . . . .
C33 C34 C35 N17 177.16(17) . . . .
C38 N17 C35 C34 -169.17(19) . . . .
C40 N17 C35 C34 12.6(3) . . . .
C38 N17 C35 C36 9.9(3) . . . .
C40 N17 C35 C36 -168.35(18) . . . .
C34 C35 C36 C37 2.6(3) . . . .
N17 C35 C36 C37 -176.42(17) . . . .
C35 C36 C37 C32 -1.1(3) . . . .
C33 C32 C37 C36 -1.2(3) . . . .
C31 C32 C37 C36 175.69(18) . . . .
C39 N18 C38 N17 0.1(2) . . . .
C40 N17 C38 N18 -0.1(2) . . . .
C35 N17 C38 N18 -178.64(18) . . . .
C38 N18 C39 C40 -0.1(2) . . . .
N18 C39 C40 N17 0.1(2) . . . .
C38 N17 C40 C39 0.0(2) . . . .
C35 N17 C40 C39 178.56(17) . . . .
C51 N11 C41 N12 2.2(3) . . . .
C51 N11 C41 C42 -176.05(16) . . . .
C31 N12 C41 N11 -1.5(3) . . . .
C31 N12 C41 C42 176.77(15) . . . .
N11 C41 C42 C47 179.04(16) . . . .
N12 C41 C42 C47 0.7(3) . . . .
N11 C41 C42 C43 1.1(2) . . . .
N12 C41 C42 C43 -177.23(16) . . . .
C47 C42 C43 C44 0.3(3) . . . .
C41 C42 C43 C44 178.22(17) . . . .
C42 C43 C44 C45 0.4(3) . . . .
C43 C44 C45 C46 -1.0(3) . . . .
C43 C44 C45 N15 -179.80(17) . . . .
C48 N15 C45 C44 24.7(3) . . . .
C50 N15 C45 C44 -160.07(19) . . . .
C48 N15 C45 C46 -154.07(19) . . . .
C50 N15 C45 C46 21.2(3) . . . .
C44 C45 C46 C47 0.9(3) . . . .
N15 C45 C46 C47 179.68(17) . . . .
C45 C46 C47 C42 -0.2(3) . . . .
C43 C42 C47 C46 -0.4(3) . . . .
C41 C42 C47 C46 -178.32(17) . . . .
C49 N16 C48 N15 0.4(2) . . . .
C50 N15 C48 N16 -0.2(2) . . . .
C45 N15 C48 N16 175.87(17) . . . .
C48 N16 C49 C50 -0.4(2) . . . .
N16 C49 C50 N15 0.3(2) . . . .
C48 N15 C50 C49 -0.1(2) . . . .
C45 N15 C50 C49 -176.05(18) . . . .
C41 N11 C51 N10 -0.5(3) . . . .
C41 N11 C51 C52 178.26(15) . . . .
C31 N10 C51 N11 -1.7(3) . . . .
C31 N10 C51 C52 179.57(16) . . . .
N11 C51 C52 C57 20.4(3) . . . .
N10 C51 C52 C57 -160.84(18) . . . .
N11 C51 C52 C53 -158.56(18) . . . .
N10 C51 C52 C53 20.2(3) . . . .
C57 C52 C53 C54 -0.8(3) . . . .
C51 C52 C53 C54 178.11(18) . . . .
C52 C53 C54 C55 2.5(3) . . . .
C53 C54 C55 C56 -2.1(3) . . . .
C53 C54 C55 N13 177.47(18) . . . .
C58 N13 C55 C56 149.1(2) . . . .
C60 N13 C55 C56 -29.2(3) . . . .
C58 N13 C55 C54 -30.5(3) . . . .
C60 N13 C55 C54 151.3(2) . . . .
C54 C55 C56 C57 0.0(3) . . . .
N13 C55 C56 C57 -179.58(17) . . . .
C55 C56 C57 C52 1.7(3) . . . .
C53 C52 C57 C56 -1.3(3) . . . .
C51 C52 C57 C56 179.72(18) . . . .
C59 N14 C58 N13 0.1(2) . . . .
C60 N13 C58 N14 -0.4(2) . . . .
C55 N13 C58 N14 -179.02(18) . . . .
C58 N14 C59 C60 0.3(3) . . . .
N14 C59 C60 N13 -0.5(3) . . . .
C58 N13 C60 C59 0.6(2) . . . .
C55 N13 C60 C59 179.14(19) . . . .
