#------------------------------------------------------------------------------
#$Date: 2016-02-18 14:25:00 +0200 (Thu, 18 Feb 2016) $
#$Revision: 176728 $
#$URL: svn://www.crystallography.net/cod/cif/8/10/17/8101717.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_8101717
loop_
_publ_author_name
'H.-G. Zhang'
'W.-T. Yu'
'L. Wang'
'J.-X. Yang'
'Z. Liu'
'X.-T. Tao'
'M.-H. Jiang'
_publ_section_title
;
Crystal structure of N,N,N',N'-tetraphenyl-1,4-benzenediamine, C₃₀H₂₄N₂
;
_journal_issue                   1
_journal_name_full
'Zeitschrift für Kristallographie - New Crystal Structures'
_journal_page_first              101
_journal_page_last               102
_journal_volume                  220
_journal_year                    2005
_chemical_formula_moiety         'C30 H24 N2'
_chemical_formula_sum            'C30 H24 N2'
_chemical_formula_weight         412.51
_chemical_name_systematic
; 
 N,N,N',N'-tetraphenyl-1,4-benzenediamine 
;
_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   difmap
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                106.367(14)
_cell_angle_beta                 99.843(16)
_cell_angle_gamma                96.037(18)
_cell_formula_units_Z            2
_cell_length_a                   8.4352(16)
_cell_length_b                   10.4102(11)
_cell_length_c                   13.802(2)
_cell_measurement_reflns_used    29
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      12.50
_cell_measurement_theta_min      4.98
_cell_volume                     1130.6(3)
_computing_cell_refinement       'Bruker XSCANS(Bruker,1996)'
_computing_data_collection       'Bruker XSCANS(Bruker,1996)'
_computing_data_reduction        'Bruker SHELXTL(Bruker.1997)'
_computing_molecular_graphics    'Bruker SHELXTL(Bruker.1997)'
_computing_structure_refinement  'Bruker SHELXTL(Bruker.1997)'
_computing_structure_solution    'SIR97 (Altomare,1999)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.990
_diffrn_measured_fraction_theta_max 0.990
_diffrn_measurement_device_type  'Bruker P4'
_diffrn_measurement_method       ω
_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  0.0229
_diffrn_reflns_av_sigmaI/netI    0.0793
_diffrn_reflns_limit_h_max       1
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_number            6498
_diffrn_reflns_theta_full        27.99
_diffrn_reflns_theta_max         27.99
_diffrn_reflns_theta_min         2.07
_diffrn_standards_decay_%        0.2
_diffrn_standards_interval_count 97
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    0.071
_exptl_absorpt_correction_T_max  0.979
_exptl_absorpt_correction_T_min  0.952
_exptl_absorpt_correction_type   psi-scan
_exptl_absorpt_process_details   'Bruker XSCANS(Bruker,1996)'
_exptl_crystal_colour            white
_exptl_crystal_density_diffrn    1.212
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             436
_exptl_crystal_size_max          0.38
_exptl_crystal_size_mid          0.34
_exptl_crystal_size_min          0.11
_refine_diff_density_max         0.133
_refine_diff_density_min         -0.146
_refine_diff_density_rms         0.033
_refine_ls_extinction_coef       0.038(2)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_extinction_method     SHELXL
_refine_ls_goodness_of_fit_ref   0.889
_refine_ls_hydrogen_treatment    refall
_refine_ls_matrix_type           full
_refine_ls_number_parameters     386
_refine_ls_number_reflns         5402
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.889
_refine_ls_R_factor_all          0.1500
_refine_ls_R_factor_gt           0.0501
_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)+(0.0499P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0952
_refine_ls_wR_factor_ref         0.1317
_reflns_number_gt                2197
_reflns_number_total             5402
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            1267-1454.cff
_cod_data_source_block           TPD
_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_enum 1555 2011-01-17 13:19:09Z saulius 
;
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               8101717
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_Wyckoff_symbol
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
C1 C 0.2608(3) 0.4565(2) 0.20063(15) 0.0479(6) Uani 1 2 i d . . .
C2 C 0.1566(3) 0.3552(2) 0.12103(18) 0.0581(6) Uani 1 2 i d . . .
C3 C 0.0030(3) 0.3093(3) 0.1327(2) 0.0703(8) Uani 1 2 i d . . .
C4 C -0.0466(3) 0.3589(3) 0.2232(2) 0.0716(8) Uani 1 2 i d . . .
C5 C 0.0557(3) 0.4589(3) 0.3024(2) 0.0685(8) Uani 1 2 i d . . .
C6 C 0.2081(3) 0.5086(3) 0.29192(17) 0.0579(6) Uani 1 2 i d . . .
C7 C 0.5450(3) 0.5567(2) 0.28266(15) 0.0508(6) Uani 1 2 i d . . .
C8 C 0.5756(3) 0.4775(3) 0.34746(18) 0.0628(7) Uani 1 2 i d . . .
C9 C 0.6937(3) 0.5273(4) 0.4366(2) 0.0781(8) Uani 1 2 i d . . .
C10 C 0.7838(4) 0.6538(4) 0.4616(2) 0.0840(9) Uani 1 2 i d . . .
C11 C 0.7564(3) 0.7314(3) 0.3974(2) 0.0783(9) Uani 1 2 i d . . .
C12 C 0.6365(3) 0.6836(3) 0.30772(18) 0.0603(7) Uani 1 2 i d . . .
C13 C 0.4582(3) 0.5031(2) 0.09464(14) 0.0459(5) Uani 1 2 i d . . .
C14 C 0.6114(3) 0.4804(2) 0.07736(16) 0.0487(6) Uani 1 2 i d . . .
C15 C 0.3474(3) 0.5237(2) 0.01606(16) 0.0490(6) Uani 1 2 i d . . .
C16 C 0.2472(3) -0.0578(2) 0.18094(15) 0.0528(6) Uani 1 2 i d . . .
C17 C 0.2142(3) -0.1649(3) 0.2188(2) 0.0707(8) Uani 1 2 i d . . .
C18 C 0.0541(4) -0.2235(3) 0.2071(2) 0.0761(8) Uani 1 2 i d . . .
C19 C -0.0720(4) -0.1781(3) 0.1584(2) 0.0690(8) Uani 1 2 i d . . .
C20 C -0.0399(3) -0.0725(3) 0.1210(2) 0.0723(8) Uani 1 2 i d . . .
C21 C 0.1185(3) -0.0125(3) 0.13259(19) 0.0651(7) Uani 1 2 i d . . .
C22 C 0.5217(3) 0.0545(2) 0.28314(16) 0.0551(6) Uani 1 2 i d . . .
C23 C 0.4686(4) 0.0992(3) 0.37460(19) 0.0741(8) Uani 1 2 i d . . .
C24 C 0.5812(4) 0.1477(3) 0.4670(2) 0.0888(10) Uani 1 2 i d . . .
C25 C 0.7444(4) 0.1552(3) 0.4709(2) 0.0922(10) Uani 1 2 i d . . .
C26 C 0.7961(4) 0.1121(3) 0.3805(2) 0.0874(9) Uani 1 2 i d . . .
C27 C 0.6875(3) 0.0630(3) 0.2876(2) 0.0704(8) Uani 1 2 i d . . .
C28 C 0.4574(3) 0.0020(2) 0.09350(15) 0.0566(6) Uani 1 2 i d . . .
C29 C 0.4389(3) -0.1181(3) 0.01559(17) 0.0663(7) Uani 1 2 i d . . .
C30 C 0.5175(3) 0.1208(3) 0.07710(18) 0.0653(7) Uani 1 2 i d . . .
N1 N 0.4191(2) 0.50669(18) 0.19163(12) 0.0545(5) Uani 1 2 i d . . .
N2 N 0.4101(2) 0.0021(2) 0.18812(13) 0.0687(6) Uani 1 2 i d . . .
H2 H 0.194(2) 0.3185(19) 0.0559(14) 0.054(6) Uiso 1 2 i d . . .
H3 H -0.065(3) 0.245(2) 0.0750(17) 0.078(8) Uiso 1 2 i d . . .
H4 H -0.152(3) 0.327(2) 0.2299(17) 0.083(8) Uiso 1 2 i d . . .
H5 H 0.027(3) 0.498(2) 0.3667(16) 0.076(8) Uiso 1 2 i d . . .
H6 H 0.286(2) 0.578(2) 0.3461(15) 0.065(7) Uiso 1 2 i d . . .
H8 H 0.511(2) 0.387(2) 0.3257(14) 0.057(6) Uiso 1 2 i d . . .
H9 H 0.711(3) 0.471(3) 0.4819(19) 0.097(9) Uiso 1 2 i d . . .
H10 H 0.866(3) 0.684(3) 0.524(2) 0.111(10) Uiso 1 2 i d . . .
H11 H 0.814(3) 0.821(3) 0.4126(19) 0.104(10) Uiso 1 2 i d . . .
H12 H 0.611(2) 0.737(2) 0.2622(15) 0.063(7) Uiso 1 2 i d . . .
H14 H 0.692(2) 0.4617(19) 0.1302(14) 0.059(6) Uiso 1 2 i d . . .
H15 H 0.237(2) 0.5416(18) 0.0245(13) 0.049(6) Uiso 1 2 i d . . .
H17 H 0.299(3) -0.196(3) 0.2520(19) 0.101(10) Uiso 1 2 i d . . .
H18 H 0.035(3) -0.299(3) 0.2329(18) 0.100(9) Uiso 1 2 i d . . .
H19 H -0.186(3) -0.219(3) 0.1511(17) 0.094(9) Uiso 1 2 i d . . .
H20 H -0.130(3) -0.038(2) 0.0879(17) 0.087(9) Uiso 1 2 i d . . .
H21 H 0.147(3) 0.063(2) 0.1107(17) 0.089(8) Uiso 1 2 i d . . .
H23 H 0.351(3) 0.093(3) 0.3746(18) 0.098(9) Uiso 1 2 i d . . .
H24 H 0.541(3) 0.181(2) 0.5294(19) 0.094(9) Uiso 1 2 i d . . .
H25 H 0.824(3) 0.182(3) 0.535(2) 0.113(11) Uiso 1 2 i d . . .
H26 H 0.910(3) 0.113(2) 0.3780(17) 0.079(8) Uiso 1 2 i d . . .
H27 H 0.725(3) 0.031(2) 0.2255(18) 0.087(8) Uiso 1 2 i d . . .
H29 H 0.399(3) -0.208(2) 0.0233(16) 0.082(7) Uiso 1 2 i d . . .
H30 H 0.527(3) 0.204(2) 0.1307(16) 0.072(7) Uiso 1 2 i d . . .
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
C2 C1 C6 118.4(2) . . ?
C2 C1 N1 121.8(2) . . ?
C6 C1 N1 119.8(2) . . ?
C1 C2 C3 120.1(2) . . ?
C1 C2 H2 118.5(11) . . ?
C3 C2 H2 121.5(11) . . ?
C4 C3 C2 121.2(3) . . ?
C4 C3 H3 122.1(15) . . ?
C2 C3 H3 116.7(15) . . ?
C3 C4 C5 119.1(3) . . ?
C3 C4 H4 120.2(14) . . ?
C5 C4 H4 120.6(14) . . ?
C4 C5 C6 120.8(3) . . ?
C4 C5 H5 122.9(14) . . ?
C6 C5 H5 116.3(14) . . ?
C5 C6 C1 120.4(3) . . ?
C5 C6 H6 124.1(12) . . ?
C1 C6 H6 115.5(12) . . ?
C12 C7 C8 119.3(2) . . ?
C12 C7 N1 120.7(2) . . ?
C8 C7 N1 120.0(2) . . ?
C9 C8 C7 119.9(3) . . ?
C9 C8 H8 123.3(12) . . ?
C7 C8 H8 116.8(12) . . ?
C10 C9 C8 120.6(3) . . ?
C10 C9 H9 120.9(15) . . ?
C8 C9 H9 118.5(15) . . ?
C11 C10 C9 119.9(3) . . ?
C11 C10 H10 122.3(17) . . ?
C9 C10 H10 117.8(17) . . ?
C10 C11 C12 120.4(3) . . ?
C10 C11 H11 122.7(16) . . ?
C12 C11 H11 116.9(16) . . ?
C7 C12 C11 120.0(3) . . ?
C7 C12 H12 117.5(12) . . ?
C11 C12 H12 122.5(12) . . ?
C14 C13 C15 118.21(18) . . ?
C14 C13 N1 119.95(19) . . ?
C15 C13 N1 121.8(2) . . ?
C15 C14 C13 121.2(2) 2_665 . ?
C15 C14 H14 117.9(11) 2_665 . ?
C13 C14 H14 120.8(11) . . ?
C14 C15 C13 120.6(2) 2_665 . ?
C14 C15 H15 117.8(10) 2_665 . ?
C13 C15 H15 121.6(10) . . ?
C21 C16 C17 118.3(2) . . ?
C21 C16 N2 120.2(2) . . ?
C17 C16 N2 121.4(2) . . ?
C16 C17 C18 119.7(3) . . ?
C16 C17 H17 119.4(16) . . ?
C18 C17 H17 120.9(16) . . ?
C19 C18 C17 121.3(3) . . ?
C19 C18 H18 120.9(16) . . ?
C17 C18 H18 117.8(16) . . ?
C18 C19 C20 119.2(3) . . ?
C18 C19 H19 121.3(15) . . ?
C20 C19 H19 119.5(15) . . ?
C19 C20 C21 120.3(3) . . ?
C19 C20 H20 119.7(14) . . ?
C21 C20 H20 120.0(14) . . ?
C16 C21 C20 121.2(2) . . ?
C16 C21 H21 115.2(15) . . ?
C20 C21 H21 123.6(15) . . ?
C27 C22 C23 118.3(2) . . ?
C27 C22 N2 120.7(2) . . ?
C23 C22 N2 120.9(2) . . ?
C24 C23 C22 119.5(3) . . ?
C24 C23 H23 119.8(15) . . ?
C22 C23 H23 120.6(15) . . ?
C25 C24 C23 121.8(3) . . ?
C25 C24 H24 120.3(15) . . ?
C23 C24 H24 117.8(15) . . ?
C24 C25 C26 118.4(3) . . ?
C24 C25 H25 122.7(17) . . ?
C26 C25 H25 118.6(17) . . ?
C25 C26 C27 121.2(3) . . ?
C25 C26 H26 122.5(14) . . ?
C27 C26 H26 116.3(14) . . ?
C26 C27 C22 120.7(3) . . ?
C26 C27 H27 120.5(15) . . ?
C22 C27 H27 118.8(15) . . ?
C29 C28 C30 118.80(19) . . ?
C29 C28 N2 119.7(2) . . ?
C30 C28 N2 121.5(2) . . ?
C28 C29 C30 120.9(2) . 2_655 ?
C28 C29 H29 122.7(13) . . ?
C30 C29 H29 116.4(13) 2_655 . ?
C28 C30 C29 120.3(2) . 2_655 ?
C28 C30 H30 118.3(13) . . ?
C29 C30 H30 121.4(13) 2_655 . ?
C1 N1 C13 122.36(17) . . ?
C1 N1 C7 118.65(16) . . ?
C13 N1 C7 118.93(17) . . ?
C22 N2 C16 121.84(17) . . ?
C22 N2 C28 121.15(18) . . ?
C16 N2 C28 116.97(18) . . ?
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
C1 C2 1.384(3) . ?
C1 C6 1.392(3) . ?
C1 N1 1.420(2) . ?
C2 C3 1.385(3) . ?
C2 H2 0.990(18) . ?
C3 C4 1.365(4) . ?
C3 H3 0.94(2) . ?
C4 C5 1.367(4) . ?
C4 H4 0.95(2) . ?
C5 C6 1.380(3) . ?
C5 H5 0.95(2) . ?
C6 H6 0.971(19) . ?
C7 C12 1.377(3) . ?
C7 C8 1.388(3) . ?
C7 N1 1.427(2) . ?
C8 C9 1.374(3) . ?
C8 H8 0.971(19) . ?
C9 C10 1.369(4) . ?
C9 H9 0.97(2) . ?
C10 C11 1.365(4) . ?
C10 H10 0.96(3) . ?
C11 C12 1.386(3) . ?
C11 H11 0.95(3) . ?
C12 H12 0.96(2) . ?
C13 C14 1.386(3) . ?
C13 C15 1.387(3) . ?
C13 N1 1.424(2) . ?
C14 C15 1.382(3) 2_665 ?
C14 H14 0.987(19) . ?
C15 C14 1.382(3) 2_665 ?
C15 H15 0.985(19) . ?
C16 C21 1.372(3) . ?
C16 C17 1.381(3) . ?
C16 N2 1.423(3) . ?
C17 C18 1.385(3) . ?
C17 H17 0.92(3) . ?
C18 C19 1.359(4) . ?
C18 H18 0.96(2) . ?
C19 C20 1.361(3) . ?
C19 H19 0.99(2) . ?
C20 C21 1.377(3) . ?
C20 H20 0.97(2) . ?
C21 H21 0.94(2) . ?
C22 C27 1.381(3) . ?
C22 C23 1.384(3) . ?
C22 N2 1.404(3) . ?
C23 C24 1.380(4) . ?
C23 H23 0.99(2) . ?
C24 C25 1.361(4) . ?
C24 H24 0.97(2) . ?
C25 C26 1.365(4) . ?
C25 H25 0.96(3) . ?
C26 C27 1.369(4) . ?
C26 H26 0.97(2) . ?
C27 H27 0.95(2) . ?
C28 C29 1.374(3) . ?
C28 C30 1.379(3) . ?
C28 N2 1.429(2) . ?
C29 C30 1.384(3) 2_655 ?
C29 H29 1.00(2) . ?
C30 C29 1.384(3) 2_655 ?
C30 H30 0.95(2) . ?
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
C6 C1 C2 C3 0.9(3) . . . . ?
N1 C1 C2 C3 -179.8(2) . . . . ?
C1 C2 C3 C4 -2.3(4) . . . . ?
C2 C3 C4 C5 2.2(4) . . . . ?
C3 C4 C5 C6 -0.7(4) . . . . ?
C4 C5 C6 C1 -0.7(4) . . . . ?
C2 C1 C6 C5 0.5(3) . . . . ?
N1 C1 C6 C5 -178.8(2) . . . . ?
C12 C7 C8 C9 1.4(4) . . . . ?
N1 C7 C8 C9 -178.1(2) . . . . ?
C7 C8 C9 C10 -1.1(4) . . . . ?
C8 C9 C10 C11 0.0(5) . . . . ?
C9 C10 C11 C12 0.7(4) . . . . ?
C8 C7 C12 C11 -0.7(4) . . . . ?
N1 C7 C12 C11 178.8(2) . . . . ?
C10 C11 C12 C7 -0.4(4) . . . . ?
C15 C13 C14 C15 -1.0(4) . . . 2_665 ?
N1 C13 C14 C15 179.93(19) . . . 2_665 ?
C14 C13 C15 C14 1.0(4) . . . 2_665 ?
N1 C13 C15 C14 -179.95(19) . . . 2_665 ?
C21 C16 C17 C18 0.1(4) . . . . ?
N2 C16 C17 C18 -177.7(2) . . . . ?
C16 C17 C18 C19 0.3(4) . . . . ?
C17 C18 C19 C20 -0.3(4) . . . . ?
C18 C19 C20 C21 -0.1(4) . . . . ?
C17 C16 C21 C20 -0.5(4) . . . . ?
N2 C16 C21 C20 177.3(2) . . . . ?
C19 C20 C21 C16 0.5(4) . . . . ?
C27 C22 C23 C24 -1.4(4) . . . . ?
N2 C22 C23 C24 178.7(2) . . . . ?
C22 C23 C24 C25 1.2(5) . . . . ?
C23 C24 C25 C26 -0.6(5) . . . . ?
C24 C25 C26 C27 0.4(5) . . . . ?
C25 C26 C27 C22 -0.7(5) . . . . ?
C23 C22 C27 C26 1.2(4) . . . . ?
N2 C22 C27 C26 -178.9(2) . . . . ?
C30 C28 C29 C30 1.2(4) . . . 2_655 ?
N2 C28 C29 C30 179.4(2) . . . 2_655 ?
C29 C28 C30 C29 -1.2(4) . . . 2_655 ?
N2 C28 C30 C29 -179.4(2) . . . 2_655 ?
C2 C1 N1 C13 27.1(3) . . . . ?
C6 C1 N1 C13 -153.7(2) . . . . ?
C2 C1 N1 C7 -150.0(2) . . . . ?
C6 C1 N1 C7 29.3(3) . . . . ?
C14 C13 N1 C1 -144.8(2) . . . . ?
C15 C13 N1 C1 36.2(3) . . . . ?
C14 C13 N1 C7 32.3(3) . . . . ?
C15 C13 N1 C7 -146.8(2) . . . . ?
C12 C7 N1 C1 -127.7(2) . . . . ?
C8 C7 N1 C1 51.8(3) . . . . ?
C12 C7 N1 C13 55.2(3) . . . . ?
C8 C7 N1 C13 -125.3(2) . . . . ?
C27 C22 N2 C16 154.6(2) . . . . ?
C23 C22 N2 C16 -25.5(3) . . . . ?
C27 C22 N2 C28 -23.0(4) . . . . ?
C23 C22 N2 C28 156.9(2) . . . . ?
C21 C16 N2 C22 126.1(3) . . . . ?
C17 C16 N2 C22 -56.1(3) . . . . ?
C21 C16 N2 C28 -56.1(3) . . . . ?
C17 C16 N2 C28 121.6(3) . . . . ?
C29 C28 N2 C22 122.8(3) . . . . ?
C30 C28 N2 C22 -59.0(3) . . . . ?
C29 C28 N2 C16 -55.0(3) . . . . ?
C30 C28 N2 C16 123.2(3) . . . . ?
