#------------------------------------------------------------------------------
#$Date: 2024-07-05 19:37:00 +0300 (Fri, 05 Jul 2024) $
#$Revision: 293095 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/71/59/7715935.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_7715935
loop_
_publ_author_name
'Grasruck, Alexander'
'Schall, Kristina'
'Heinemann, Frank W.'
'Langer, Jens'
'Herrera, Alberto'
'Frieß, Sybille'
'Schmid, Günter'
'Dorta, Romano'
_publ_section_title
;
 Dibenzoazepine hydrazine is a building block for N-alkene hybrid
 ligands: exploratory syntheses of complexes of Cu, Fe, and Li.
;
_journal_issue                   20
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              8642
_journal_page_last               8656
_journal_paper_doi               10.1039/d4dt00749b
_journal_volume                  53
_journal_year                    2024
_chemical_formula_moiety         'C30 H22 N4'
_chemical_formula_sum            'C30 H22 N4'
_chemical_formula_weight         438.51
_chemical_properties_physical    Heat-sensitive
_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
_atom_sites_solution_primary     direct
_audit_creation_date             2023-10-12
_audit_creation_method
;
Olex2 1.5
(compiled 2023.08.24 svn.re1ec1418 for OlexSys, GUI svn.r6817)
;
_audit_update_record
;
2024-03-07 deposited with the CCDC.	2024-04-19 downloaded from the CCDC.
;
_cell_angle_alpha                100.479(2)
_cell_angle_beta                 113.912(2)
_cell_angle_gamma                98.710(2)
_cell_formula_units_Z            2
_cell_length_a                   10.1577(4)
_cell_length_b                   11.1480(4)
_cell_length_c                   11.4751(4)
_cell_measurement_reflns_used    9585
_cell_measurement_temperature    100.15
_cell_measurement_theta_max      28.70
_cell_measurement_theta_min      2.26
_cell_volume                     1130.84(8)
_computing_cell_refinement       'Bruker SAINT'
_computing_data_collection       'Bruker APEX2'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'SHELXTL 6.12 (Bruker AXS, 2002)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL-2018/3 (Sheldrick, 2015)'
_computing_structure_solution    'SHELX XT 2014/5 (Sheldrick, 2015)'
_diffrn_ambient_temperature      100(2)
_diffrn_detector_area_resol_mean 83.33
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.980
_diffrn_measurement_device_type  'Bruker Smart APEX II CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_monochromator  'Triumph curved graphite'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0261
_diffrn_reflns_av_unetI/netI     0.0181
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.980
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_limit_l_min       -15
_diffrn_reflns_number            60824
_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.980
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         28.709
_diffrn_reflns_theta_min         1.919
_diffrn_source                   'fine-focus sealed tube'
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    0.077
_exptl_absorpt_correction_T_max  0.7458
_exptl_absorpt_correction_T_min  0.7004
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
SADABS-2014/5 (Bruker,2014/5) was used for absorption correction.
wR2(int) was 0.0410 before and 0.0376 after correction.
The Ratio of minimum to maximum transmission is 0.9391.
The λ/2 correction factor is Not present.
;
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.288
_exptl_crystal_description       block
_exptl_crystal_F_000             460
_exptl_crystal_recrystallization_method
'Re-crystallisation from solvent: n-pentane, chloroform'
_exptl_crystal_size_max          0.28
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.09
_refine_diff_density_max         0.314
_refine_diff_density_min         -0.213
_refine_diff_density_rms         0.042
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.033
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     307
_refine_ls_number_reflns         5741
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.033
_refine_ls_R_factor_all          0.0508
_refine_ls_R_factor_gt           0.0387
_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)+(0.0407P)²+0.5113P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0907
_refine_ls_wR_factor_ref         0.0974
_reflns_Friedel_coverage         0.000
_reflns_number_gt                4765
_reflns_number_total             5741
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d4dt00749b2.cif
_cod_data_source_block           rd1619
_cod_depositor_comments
'Adding full bibliography for 7715932--7715940.cif.'
_cod_original_cell_volume        1130.84(7)
_cod_database_code               7715935
_shelx_shelxl_version_number     2018/3
_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_max   0.993
_shelx_estimated_absorpt_t_min   0.979
_olex2_refinement_description
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups
2.a Aromatic/amide H refined with riding coordinates:
 C2(H2), C3(H3), C4(H4), C5(H5), C7(H7), C8(H8), C10(H10), C11(H11), C12(H12),
 C13(H13), C15(H15), C17(H17), C18(H18), C19(H19), C20(H20), C22(H22), C23(H23),
  C25(H25), C26(H26), C27(H27), C28(H28), C30(H30)
;
_olex2_submission_special_instructions 'No special instructions were received'
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
N1 N 1.00107(10) 0.13472(8) 0.30177(9) 0.01492(18) Uani 1 1 d . . . . .
N2 N 1.04823(10) 0.06473(8) 0.39079(9) 0.01491(18) Uani 1 1 d . . . . .
C1 C 1.10105(12) 0.16516(9) 0.24675(11) 0.0149(2) Uani 1 1 d . . . . .
C2 C 1.25364(12) 0.19445(10) 0.32513(11) 0.0174(2) Uani 1 1 d . . . . .
H2 H 1.291987 0.200083 0.416992 0.021 Uiso 1 1 calc R U . . .
C3 C 1.35015(13) 0.21549(10) 0.26885(12) 0.0199(2) Uani 1 1 d . . . . .
H3 H 1.454634 0.236246 0.322352 0.024 Uiso 1 1 calc R U . . .
C4 C 1.29365(14) 0.20612(11) 0.13428(12) 0.0221(2) Uani 1 1 d . . . . .
H4 H 1.359426 0.218731 0.095326 0.026 Uiso 1 1 calc R U . . .
C5 C 1.14149(14) 0.17841(11) 0.05697(12) 0.0213(2) Uani 1 1 d . . . . .
H5 H 1.104106 0.172514 -0.034892 0.026 Uiso 1 1 calc R U . . .
C6 C 1.04120(13) 0.15884(10) 0.11120(11) 0.0169(2) Uani 1 1 d . . . . .
C7 C 0.88126(13) 0.13114(10) 0.02578(11) 0.0202(2) Uani 1 1 d . . . . .
H7 H 0.848279 0.088719 -0.064553 0.024 Uiso 1 1 calc R U . . .
C8 C 0.77586(13) 0.15886(11) 0.06055(11) 0.0209(2) Uani 1 1 d . . . . .
H8 H 0.676312 0.131406 -0.007125 0.025 Uiso 1 1 calc R U . . .
C9 C 0.79762(12) 0.22681(10) 0.19146(11) 0.0176(2) Uani 1 1 d . . . . .
C10 C 0.70549(13) 0.30655(12) 0.20054(13) 0.0229(2) Uani 1 1 d . . . . .
H10 H 0.625709 0.310192 0.121949 0.028 Uiso 1 1 calc R U . . .
C11 C 0.72837(14) 0.37992(12) 0.32142(13) 0.0245(3) Uani 1 1 d . . . . .
H11 H 0.664084 0.432491 0.325457 0.029 Uiso 1 1 calc R U . . .
C12 C 0.84578(13) 0.37637(11) 0.43691(12) 0.0218(2) Uani 1 1 d . . . . .
H12 H 0.862878 0.427693 0.519924 0.026 Uiso 1 1 calc R U . . .
C13 C 0.93787(12) 0.29807(10) 0.43103(11) 0.0178(2) Uani 1 1 d . . . . .
H13 H 1.019034 0.296812 0.509923 0.021 Uiso 1 1 calc R U . . .
C14 C 0.91175(11) 0.22101(10) 0.30951(11) 0.0151(2) Uani 1 1 d . . . . .
C15 C 0.97566(12) 0.04029(10) 0.45707(10) 0.0152(2) Uani 1 1 d . . . . .
H15 H 0.893101 0.074145 0.449620 0.018 Uiso 1 1 calc R U . . .
N3 N 0.57644(10) 0.33990(9) 0.68270(10) 0.0185(2) Uani 1 1 d . . . . .
N4 N 0.49235(10) 0.40452(8) 0.60353(9) 0.01504(18) Uani 1 1 d . . . . .
C16 C 0.50208(12) 0.26641(10) 0.73743(11) 0.0164(2) Uani 1 1 d . . . . .
C17 C 0.42169(13) 0.31842(11) 0.79761(12) 0.0208(2) Uani 1 1 d . . . . .
H17 H 0.422828 0.405177 0.808534 0.025 Uiso 1 1 calc R U . . .
C18 C 0.33980(13) 0.24370(12) 0.84173(12) 0.0230(2) Uani 1 1 d . . . . .
H18 H 0.285232 0.279556 0.883017 0.028 Uiso 1 1 calc R U . . .
C19 C 0.33731(13) 0.11650(11) 0.82574(12) 0.0220(2) Uani 1 1 d . . . . .
H19 H 0.280588 0.065219 0.855259 0.026 Uiso 1 1 calc R U . . .
C20 C 0.41794(13) 0.06538(11) 0.76660(11) 0.0203(2) Uani 1 1 d . . . . .
H20 H 0.415631 -0.021582 0.755646 0.024 Uiso 1 1 calc R U . . .
C21 C 0.50346(12) 0.13888(10) 0.72216(11) 0.0169(2) Uani 1 1 d . . . . .
C22 C 0.58697(13) 0.07917(10) 0.66141(11) 0.0198(2) Uani 1 1 d . . . . .
H22 H 0.548097 -0.008811 0.620740 0.024 Uiso 1 1 calc R U . . .
C23 C 0.71115(13) 0.13139(11) 0.65505(11) 0.0195(2) Uani 1 1 d . . . . .
H23 H 0.747227 0.076639 0.608310 0.023 Uiso 1 1 calc R U . . .
C24 C 0.79726(12) 0.26279(10) 0.71175(11) 0.0166(2) Uani 1 1 d . . . . .
C25 C 0.95110(13) 0.29095(11) 0.75137(12) 0.0208(2) Uani 1 1 d . . . . .
H25 H 0.996112 0.224957 0.735817 0.025 Uiso 1 1 calc R U . . .
C26 C 1.03838(13) 0.41306(12) 0.81266(13) 0.0240(3) Uani 1 1 d . . . . .
H26 H 1.142010 0.430351 0.837314 0.029 Uiso 1 1 calc R U . . .
C27 C 0.97491(13) 0.51044(11) 0.83823(12) 0.0231(2) Uani 1 1 d . . . . .
H27 H 1.035451 0.593766 0.883108 0.028 Uiso 1 1 calc R U . . .
C28 C 0.82302(13) 0.48549(10) 0.79802(11) 0.0192(2) Uani 1 1 d . . . . .
H28 H 0.779193 0.551919 0.815055 0.023 Uiso 1 1 calc R U . . .
C29 C 0.73422(12) 0.36310(10) 0.73258(11) 0.0155(2) Uani 1 1 d . . . . .
C30 C 0.54792(12) 0.47066(10) 0.54520(10) 0.0154(2) Uani 1 1 d . . . . .
H30 H 0.648891 0.480252 0.561451 0.019 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 0.0033 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'
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
N2 N1 C1 113.37(8) . . ?
N2 N1 C14 123.22(8) . . ?
C1 N1 C14 116.59(8) . . ?
C15 N2 N1 119.95(9) . . ?
C2 C1 N1 120.15(9) . . ?
C2 C1 C6 121.35(10) . . ?
C6 C1 N1 118.44(10) . . ?
C1 C2 H2 120.1 . . ?
C1 C2 C3 119.83(10) . . ?
C3 C2 H2 120.1 . . ?
C2 C3 H3 120.0 . . ?
C4 C3 C2 119.92(11) . . ?
C4 C3 H3 120.0 . . ?
C3 C4 H4 120.0 . . ?
C5 C4 C3 119.98(10) . . ?
C5 C4 H4 120.0 . . ?
C4 C5 H5 119.3 . . ?
C4 C5 C6 121.50(11) . . ?
C6 C5 H5 119.3 . . ?
C1 C6 C7 123.08(10) . . ?
C5 C6 C1 117.38(10) . . ?
C5 C6 C7 119.53(10) . . ?
C6 C7 H7 116.3 . . ?
C8 C7 C6 127.40(11) . . ?
C8 C7 H7 116.3 . . ?
C7 C8 H8 116.5 . . ?
C7 C8 C9 127.09(11) . . ?
C9 C8 H8 116.5 . . ?
C10 C9 C8 119.20(10) . . ?
C14 C9 C8 122.90(10) . . ?
C14 C9 C10 117.83(11) . . ?
C9 C10 H10 119.3 . . ?
C11 C10 C9 121.47(11) . . ?
C11 C10 H10 119.3 . . ?
C10 C11 H11 120.1 . . ?
C10 C11 C12 119.73(11) . . ?
C12 C11 H11 120.1 . . ?
C11 C12 H12 120.0 . . ?
C13 C12 C11 120.05(11) . . ?
C13 C12 H12 120.0 . . ?
C12 C13 H13 119.9 . . ?
C12 C13 C14 120.18(11) . . ?
C14 C13 H13 119.9 . . ?
C9 C14 N1 118.24(10) . . ?
C13 C14 N1 121.13(10) . . ?
C13 C14 C9 120.62(10) . . ?
N2 C15 C15 117.67(12) . 2_756 ?
N2 C15 H15 121.2 . . ?
C15 C15 H15 121.2 2_756 . ?
N4 N3 C16 114.88(9) . . ?
N4 N3 C29 123.85(8) . . ?
C16 N3 C29 119.89(9) . . ?
C30 N4 N3 119.74(9) . . ?
C17 C16 N3 120.27(10) . . ?
C17 C16 C21 120.77(10) . . ?
C21 C16 N3 118.84(10) . . ?
C16 C17 H17 120.0 . . ?
C18 C17 C16 120.07(11) . . ?
C18 C17 H17 120.0 . . ?
C17 C18 H18 119.9 . . ?
C17 C18 C19 120.27(11) . . ?
C19 C18 H18 119.9 . . ?
C18 C19 H19 120.3 . . ?
C20 C19 C18 119.48(10) . . ?
C20 C19 H19 120.3 . . ?
C19 C20 H20 119.2 . . ?
C19 C20 C21 121.66(11) . . ?
C21 C20 H20 119.2 . . ?
C16 C21 C20 117.73(10) . . ?
C16 C21 C22 123.39(10) . . ?
C20 C21 C22 118.88(10) . . ?
C21 C22 H22 115.5 . . ?
C23 C22 C21 128.96(10) . . ?
C23 C22 H22 115.5 . . ?
C22 C23 H23 116.2 . . ?
C22 C23 C24 127.51(10) . . ?
C24 C23 H23 116.2 . . ?
C25 C24 C23 119.25(10) . . ?
C29 C24 C23 123.00(10) . . ?
C29 C24 C25 117.72(10) . . ?
C24 C25 H25 119.4 . . ?
C26 C25 C24 121.22(11) . . ?
C26 C25 H25 119.4 . . ?
C25 C26 H26 119.9 . . ?
C25 C26 C27 120.19(11) . . ?
C27 C26 H26 119.9 . . ?
C26 C27 H27 120.2 . . ?
C28 C27 C26 119.69(11) . . ?
C28 C27 H27 120.2 . . ?
C27 C28 H28 119.9 . . ?
C27 C28 C29 120.16(10) . . ?
C29 C28 H28 119.9 . . ?
C24 C29 N3 119.36(10) . . ?
C28 C29 N3 119.72(10) . . ?
C28 C29 C24 120.89(10) . . ?
N4 C30 C30 117.94(12) . 2_666 ?
N4 C30 H30 121.0 . . ?
C30 C30 H30 121.0 2_666 . ?
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 N2 1.3741(12) . ?
N1 C1 1.4278(13) . ?
N1 C14 1.4335(14) . ?
N2 C15 1.2904(13) . ?
C1 C2 1.3885(15) . ?
C1 C6 1.4052(15) . ?
C2 H2 0.9500 . ?
C2 C3 1.3899(15) . ?
C3 H3 0.9500 . ?
C3 C4 1.3891(17) . ?
C4 H4 0.9500 . ?
C4 C5 1.3840(18) . ?
C5 H5 0.9500 . ?
C5 C6 1.4031(15) . ?
C6 C7 1.4637(16) . ?
C7 H7 0.9500 . ?
C7 C8 1.3426(17) . ?
C8 H8 0.9500 . ?
C8 C9 1.4647(16) . ?
C9 C10 1.4051(16) . ?
C9 C14 1.4017(15) . ?
C10 H10 0.9500 . ?
C10 C11 1.3840(19) . ?
C11 H11 0.9500 . ?
C11 C12 1.3900(18) . ?
C12 H12 0.9500 . ?
C12 C13 1.3852(16) . ?
C13 H13 0.9500 . ?
C13 C14 1.3957(16) . ?
C15 C15 1.444(2) 2_756 ?
C15 H15 0.9500 . ?
N3 N4 1.3672(12) . ?
N3 C16 1.4214(13) . ?
N3 C29 1.4283(14) . ?
N4 C30 1.2924(13) . ?
C16 C17 1.3910(16) . ?
C16 C21 1.4034(15) . ?
C17 H17 0.9500 . ?
C17 C18 1.3883(16) . ?
C18 H18 0.9500 . ?
C18 C19 1.3913(17) . ?
C19 H19 0.9500 . ?
C19 C20 1.3810(17) . ?
C20 H20 0.9500 . ?
C20 C21 1.4078(15) . ?
C21 C22 1.4596(16) . ?
C22 H22 0.9500 . ?
C22 C23 1.3427(16) . ?
C23 H23 0.9500 . ?
C23 C24 1.4622(16) . ?
C24 C25 1.4038(16) . ?
C24 C29 1.4006(15) . ?
C25 H25 0.9500 . ?
C25 C26 1.3836(17) . ?
C26 H26 0.9500 . ?
C26 C27 1.3892(17) . ?
C27 H27 0.9500 . ?
C27 C28 1.3845(16) . ?
C28 H28 0.9500 . ?
C28 C29 1.3945(16) . ?
C30 C30 1.440(2) 2_666 ?
C30 H30 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
_geom_torsion_publ_flag
N1 N2 C15 C15 176.12(11) . . . 2_756 ?
N1 C1 C2 C3 175.58(10) . . . . ?
N1 C1 C6 C5 -174.58(9) . . . . ?
N1 C1 C6 C7 4.42(15) . . . . ?
N2 N1 C1 C2 -37.79(13) . . . . ?
N2 N1 C1 C6 139.26(10) . . . . ?
N2 N1 C14 C9 -140.36(10) . . . . ?
N2 N1 C14 C13 40.07(14) . . . . ?
C1 N1 N2 C15 173.70(9) . . . . ?
C1 N1 C14 C9 70.53(12) . . . . ?
C1 N1 C14 C13 -109.03(11) . . . . ?
C1 C2 C3 C4 -0.54(16) . . . . ?
C1 C6 C7 C8 30.31(18) . . . . ?
C2 C1 C6 C5 2.44(15) . . . . ?
C2 C1 C6 C7 -178.57(10) . . . . ?
C2 C3 C4 C5 1.32(17) . . . . ?
C3 C4 C5 C6 -0.21(17) . . . . ?
C4 C5 C6 C1 -1.64(16) . . . . ?
C4 C5 C6 C7 179.33(10) . . . . ?
C5 C6 C7 C8 -150.71(12) . . . . ?
C6 C1 C2 C3 -1.39(16) . . . . ?
C6 C7 C8 C9 2.05(19) . . . . ?
C7 C8 C9 C10 145.10(12) . . . . ?
C7 C8 C9 C14 -31.65(17) . . . . ?
C8 C9 C10 C11 -175.18(10) . . . . ?
C8 C9 C14 N1 -6.63(15) . . . . ?
C8 C9 C14 C13 172.94(10) . . . . ?
C9 C10 C11 C12 0.72(17) . . . . ?
C10 C9 C14 N1 176.58(9) . . . . ?
C10 C9 C14 C13 -3.85(15) . . . . ?
C10 C11 C12 C13 -1.09(17) . . . . ?
C11 C12 C13 C14 -1.03(17) . . . . ?
C12 C13 C14 N1 -176.88(10) . . . . ?
C12 C13 C14 C9 3.56(16) . . . . ?
C14 N1 N2 C15 23.72(15) . . . . ?
C14 N1 C1 C2 114.31(11) . . . . ?
C14 N1 C1 C6 -68.64(12) . . . . ?
C14 C9 C10 C11 1.73(16) . . . . ?
N3 N4 C30 C30 175.33(12) . . . 2_666 ?
N3 C16 C17 C18 174.99(11) . . . . ?
N3 C16 C21 C20 -174.37(10) . . . . ?
N3 C16 C21 C22 4.80(16) . . . . ?
N4 N3 C16 C17 -47.92(14) . . . . ?
N4 N3 C16 C21 128.08(11) . . . . ?
N4 N3 C29 C24 -126.65(11) . . . . ?
N4 N3 C29 C28 51.60(15) . . . . ?
C16 N3 N4 C30 -177.58(10) . . . . ?
C16 N3 C29 C24 67.48(14) . . . . ?
C16 N3 C29 C28 -114.27(12) . . . . ?
C16 C17 C18 C19 -0.17(18) . . . . ?
C16 C21 C22 C23 27.10(19) . . . . ?
C17 C16 C21 C20 1.61(16) . . . . ?
C17 C16 C21 C22 -179.22(11) . . . . ?
C17 C18 C19 C20 0.53(18) . . . . ?
C18 C19 C20 C21 0.20(17) . . . . ?
C19 C20 C21 C16 -1.25(16) . . . . ?
C19 C20 C21 C22 179.54(11) . . . . ?
C20 C21 C22 C23 -153.74(12) . . . . ?
C21 C16 C17 C18 -0.93(17) . . . . ?
C21 C22 C23 C24 1.9(2) . . . . ?
C22 C23 C24 C25 150.19(12) . . . . ?
C22 C23 C24 C29 -27.80(18) . . . . ?
C23 C24 C25 C26 -176.12(11) . . . . ?
C23 C24 C29 N3 -7.72(16) . . . . ?
C23 C24 C29 C28 174.05(10) . . . . ?
C24 C25 C26 C27 1.10(18) . . . . ?
C25 C24 C29 N3 174.27(10) . . . . ?
C25 C24 C29 C28 -3.96(16) . . . . ?
C25 C26 C27 C28 -2.22(18) . . . . ?
C26 C27 C28 C29 0.24(17) . . . . ?
C27 C28 C29 N3 -175.30(10) . . . . ?
C27 C28 C29 C24 2.92(17) . . . . ?
C29 N3 N4 C30 15.91(16) . . . . ?
C29 N3 C16 C17 119.17(12) . . . . ?
C29 N3 C16 C21 -64.83(14) . . . . ?
C29 C24 C25 C26 1.97(17) . . . . ?
