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#$Date: 2022-07-11 11:49:28 +0300 (Mon, 11 Jul 2022) $
#$Revision: 276754 $
#$URL: file:///home/coder/svn-repositories/cod/cif/8/10/56/8105678.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_8105678
loop_
_publ_author_name
'Bo, Zhao'
'Lin, Cai'
'Jiewei, Luo'
_publ_section_title
;
 The crystal structure of
 4-((2-(4,5-dihydro-1,5-diphenyl-1H-pyrazol-3-yl)anthracen-10-yl)
 methyl)morpholine, C34H31N3O
;
_journal_issue                   3
_journal_name_full
'Zeitschrift für Kristallographie - New Crystal Structures'
_journal_page_first              451
_journal_page_last               452
_journal_paper_doi               10.1515/ncrs-2018-0463
_journal_volume                  234
_journal_year                    2019
_chemical_formula_sum            'C34 H31 N3 O'
_chemical_formula_weight         497.62
_chemical_name_systematic
;
4-((2-(4,5-dihydro-1,5-diphenyl-1H-pyrazol-3-yl)anthracen-10-yl)
methyl)morpholine
;
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_Hall           '-P 2ybc'
_space_group_name_H-M_alt        'P 1 21/c 1'
_atom_sites_solution_hydrogens   geom
_audit_creation_method           SHELXL-2014/7
_cell_angle_alpha                90
_cell_angle_beta                 98.53(3)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   26.803(5)
_cell_length_b                   5.8243(12)
_cell_length_c                   16.893(3)
_cell_measurement_reflns_used    6263
_cell_measurement_temperature    113(2)
_cell_measurement_theta_max      27.082
_cell_measurement_theta_min      1.341
_cell_volume                     2608.0(9)
_computing_cell_refinement       'Bruker SAINT'
_computing_data_collection       'Bruker APEX2[1]'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-2014/7 [2,3]'
_computing_structure_solution    'SHELXL-2014/7 [2,3]'
_diffrn_ambient_temperature      113(2)
_diffrn_measured_fraction_theta_full 0.994
_diffrn_measured_fraction_theta_max 0.990
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0648
_diffrn_reflns_av_unetI/netI     0.0753
_diffrn_reflns_Laue_measured_fraction_full 0.994
_diffrn_reflns_Laue_measured_fraction_max 0.990
_diffrn_reflns_limit_h_max       30
_diffrn_reflns_limit_h_min       -34
_diffrn_reflns_limit_k_max       7
_diffrn_reflns_limit_k_min       -7
_diffrn_reflns_limit_l_max       21
_diffrn_reflns_limit_l_min       -21
_diffrn_reflns_number            19073
_diffrn_reflns_point_group_measured_fraction_full 0.994
_diffrn_reflns_point_group_measured_fraction_max 0.990
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         27.081
_diffrn_reflns_theta_min         1.536
_exptl_absorpt_coefficient_mu    0.077
_exptl_absorpt_correction_T_max  0.9923
_exptl_absorpt_correction_T_min  0.9848
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.267
_exptl_crystal_description       rod
_exptl_crystal_F_000             1056
_exptl_crystal_size_max          0.200
_exptl_crystal_size_mid          0.180
_exptl_crystal_size_min          0.100
_refine_diff_density_max         0.310
_refine_diff_density_min         -0.283
_refine_diff_density_rms         0.064
_refine_ls_extinction_coef       0.0136(17)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_extinction_method     'SHELXL-2014/7 (Sheldrick 2014'
_refine_ls_goodness_of_fit_ref   1.095
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     344
_refine_ls_number_reflns         5694
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.095
_refine_ls_R_factor_all          0.1092
_refine_ls_R_factor_gt           0.0759
_refine_ls_shift/su_max          0.032
_refine_ls_shift/su_mean         0.005
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0889P)²] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1791
_refine_ls_wR_factor_ref         0.2028
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                3784
_reflns_number_total             5694
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            suppl_ncrs-2018-0463_suppl.cif
_cod_data_source_block           R1
_cod_original_cell_volume        2608.1(9)
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               8105678
_shelx_shelxl_version_number     2014/7
_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   0.985
_shelx_estimated_absorpt_t_max   0.992
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -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_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 1.02187(6) 0.4141(3) 0.13233(10) 0.0427(5) Uani 1 1 d . . . . .
N1 N 0.67041(7) -0.1348(3) 0.30233(11) 0.0350(5) Uani 1 1 d . . . . .
N2 N 0.70311(7) -0.0084(3) 0.26237(11) 0.0349(5) Uani 1 1 d . . . . .
N3 N 0.91564(7) 0.3937(3) 0.07350(10) 0.0305(4) Uani 1 1 d . . . . .
C1 C 0.65384(9) -0.0466(4) 0.37057(13) 0.0319(5) Uani 1 1 d . . . . .
C2 C 0.61778(9) -0.1673(4) 0.40655(13) 0.0370(6) Uani 1 1 d . . . . .
H2 H 0.6043 -0.3069 0.3835 0.044 Uiso 1 1 calc R U . . .
C3 C 0.60178(10) -0.0844(4) 0.47528(14) 0.0423(6) Uani 1 1 d . . . . .
H3 H 0.5774 -0.1677 0.4992 0.051 Uiso 1 1 calc R U . . .
C4 C 0.62108(10) 0.1197(5) 0.50942(14) 0.0457(7) Uani 1 1 d . . . . .
H4 H 0.6097 0.1776 0.5562 0.055 Uiso 1 1 calc R U . . .
C5 C 0.65702(10) 0.2381(4) 0.47491(14) 0.0456(7) Uani 1 1 d . . . . .
H5 H 0.6703 0.3775 0.4985 0.055 Uiso 1 1 calc R U . . .
C6 C 0.67418(9) 0.1567(4) 0.40608(13) 0.0382(6) Uani 1 1 d . . . . .
H6 H 0.6994 0.2383 0.3836 0.046 Uiso 1 1 calc R U . . .
C7 C 0.64806(9) -0.3305(4) 0.25459(13) 0.0347(5) Uani 1 1 d . . . . .
H7 H 0.6488 -0.4708 0.2889 0.042 Uiso 1 1 calc R U . . .
C8 C 0.59453(9) -0.2842(4) 0.21367(13) 0.0328(5) Uani 1 1 d . . . . .
C9 C 0.58220(9) -0.0798(4) 0.17244(14) 0.0400(6) Uani 1 1 d . . . . .
H9 H 0.6068 0.0381 0.1735 0.048 Uiso 1 1 calc R U . . .
C10 C 0.53434(10) -0.0470(4) 0.12980(15) 0.0447(6) Uani 1 1 d . . . . .
H10 H 0.5265 0.0927 0.1016 0.054 Uiso 1 1 calc R U . . .
C11 C 0.49793(10) -0.2165(5) 0.12808(16) 0.0509(7) Uani 1 1 d . . . . .
H11 H 0.4653 -0.1949 0.0982 0.061 Uiso 1 1 calc R U . . .
C12 C 0.50956(10) -0.4171(5) 0.17026(17) 0.0526(7) Uani 1 1 d . . . . .
H12 H 0.4845 -0.5324 0.1708 0.063 Uiso 1 1 calc R U . . .
C13 C 0.55760(10) -0.4510(4) 0.21185(15) 0.0439(6) Uani 1 1 d . . . . .
H13 H 0.5653 -0.5914 0.2396 0.053 Uiso 1 1 calc R U . . .
C14 C 0.68558(9) -0.3566(4) 0.19448(14) 0.0376(6) Uani 1 1 d . . . . .
H14A H 0.7098 -0.4825 0.2102 0.045 Uiso 1 1 calc R U . . .
H14B H 0.6679 -0.3854 0.1397 0.045 Uiso 1 1 calc R U . . .
C15 C 0.71148(8) -0.1263(4) 0.20025(13) 0.0320(5) Uani 1 1 d . . . . .
C16 C 0.74461(8) -0.0408(4) 0.14579(13) 0.0326(5) Uani 1 1 d . . . . .
C17 C 0.77491(8) 0.1598(4) 0.16592(13) 0.0337(5) Uani 1 1 d . . . . .
H17 H 0.7736 0.2350 0.2155 0.040 Uiso 1 1 calc R U . . .
C18 C 0.80550(9) 0.2441(4) 0.11521(13) 0.0347(5) Uani 1 1 d . . . . .
H18 H 0.8250 0.3773 0.1304 0.042 Uiso 1 1 calc R U . . .
C19 C 0.80914(8) 0.1383(4) 0.03960(13) 0.0321(5) Uani 1 1 d . . . . .
C20 C 0.84087(8) 0.2246(4) -0.01306(13) 0.0318(5) Uani 1 1 d . . . . .
C21 C 0.84375(8) 0.1085(4) -0.08627(13) 0.0324(5) Uani 1 1 d . . . . .
C22 C 0.87541(9) 0.1822(4) -0.14275(13) 0.0378(6) Uani 1 1 d . . . . .
H22 H 0.8945 0.3193 -0.1329 0.045 Uiso 1 1 calc R U . . .
C23 C 0.87855(9) 0.0589(5) -0.21042(14) 0.0434(6) Uani 1 1 d . . . . .
H23 H 0.8995 0.1124 -0.2472 0.052 Uiso 1 1 calc R U . . .
C24 C 0.85100(9) -0.1483(5) -0.22675(13) 0.0417(6) Uani 1 1 d . . . . .
H24 H 0.8545 -0.2351 -0.2732 0.050 Uiso 1 1 calc R U . . .
C25 C 0.81980(9) -0.2221(4) -0.17633(13) 0.0390(6) Uani 1 1 d . . . . .
H25 H 0.8012 -0.3598 -0.1881 0.047 Uiso 1 1 calc R U . . .
C26 C 0.81427(8) -0.0963(4) -0.10545(12) 0.0317(5) Uani 1 1 d . . . . .
C27 C 0.78196(8) -0.1739(4) -0.05308(13) 0.0342(5) Uani 1 1 d . . . . .
H27 H 0.7615 -0.3049 -0.0673 0.041 Uiso 1 1 calc R U . . .
C28 C 0.77905(8) -0.0637(4) 0.01949(13) 0.0310(5) Uani 1 1 d . . . . .
C29 C 0.74763(8) -0.1493(4) 0.07433(13) 0.0326(5) Uani 1 1 d . . . . .
H29 H 0.7284 -0.2846 0.0611 0.039 Uiso 1 1 calc R U . . .
C30 C 0.87169(9) 0.4381(4) 0.01077(14) 0.0345(5) Uani 1 1 d . . . . .
H30A H 0.8839 0.5021 -0.0372 0.041 Uiso 1 1 calc R U . . .
H30B H 0.8497 0.5548 0.0307 0.041 Uiso 1 1 calc R U . . .
C31 C 0.94114(9) 0.6111(4) 0.09679(14) 0.0369(6) Uani 1 1 d . . . . .
H31A H 0.9176 0.7158 0.1188 0.044 Uiso 1 1 calc R U . . .
H31B H 0.9516 0.6852 0.0491 0.044 Uiso 1 1 calc R U . . .
C32 C 0.98713(10) 0.5700(4) 0.15906(14) 0.0425(6) Uani 1 1 d . . . . .
H32A H 1.0043 0.7183 0.1727 0.051 Uiso 1 1 calc R U . . .
H32B H 0.9761 0.5085 0.2083 0.051 Uiso 1 1 calc R U . . .
C33 C 0.99652(9) 0.2021(4) 0.10941(14) 0.0378(6) Uani 1 1 d . . . . .
H33A H 0.9849 0.1319 0.1568 0.045 Uiso 1 1 calc R U . . .
H33B H 1.0205 0.0945 0.0897 0.045 Uiso 1 1 calc R U . . .
C34 C 0.95193(8) 0.2378(4) 0.04506(13) 0.0331(5) Uani 1 1 d . . . . .
H34A H 0.9635 0.3032 -0.0032 0.040 Uiso 1 1 calc R U . . .
H34B H 0.9355 0.0885 0.0303 0.040 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'
O O 0.0106 0.0060 '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
C32 O1 C33 109.22(18) . .
C1 N1 N2 120.43(19) . .
C1 N1 C7 125.83(19) . .
N2 N1 C7 112.20(18) . .
C15 N2 N1 107.94(19) . .
C34 N3 C31 108.56(18) . .
C34 N3 C30 111.67(16) . .
C31 N3 C30 109.28(17) . .
N1 C1 C6 121.0(2) . .
N1 C1 C2 119.9(2) . .
C6 C1 C2 119.1(2) . .
C3 C2 C1 120.5(2) . .
C3 C2 H2 119.7 . .
C1 C2 H2 119.7 . .
C4 C3 C2 120.3(2) . .
C4 C3 H3 119.8 . .
C2 C3 H3 119.8 . .
C3 C4 C5 119.5(2) . .
C3 C4 H4 120.3 . .
C5 C4 H4 120.3 . .
C4 C5 C6 121.3(2) . .
C4 C5 H5 119.4 . .
C6 C5 H5 119.4 . .
C5 C6 C1 119.3(2) . .
C5 C6 H6 120.4 . .
C1 C6 H6 120.4 . .
N1 C7 C8 113.04(19) . .
N1 C7 C14 100.69(18) . .
C8 C7 C14 112.47(18) . .
N1 C7 H7 110.1 . .
C8 C7 H7 110.1 . .
C14 C7 H7 110.1 . .
C13 C8 C9 118.2(2) . .
C13 C8 C7 120.6(2) . .
C9 C8 C7 121.1(2) . .
C10 C9 C8 120.6(2) . .
C10 C9 H9 119.7 . .
C8 C9 H9 119.7 . .
C11 C10 C9 120.4(2) . .
C11 C10 H10 119.8 . .
C9 C10 H10 119.8 . .
C12 C11 C10 119.2(2) . .
C12 C11 H11 120.4 . .
C10 C11 H11 120.4 . .
C11 C12 C13 120.3(3) . .
C11 C12 H12 119.9 . .
C13 C12 H12 119.9 . .
C8 C13 C12 121.2(2) . .
C8 C13 H13 119.4 . .
C12 C13 H13 119.4 . .
C15 C14 C7 102.08(18) . .
C15 C14 H14A 111.4 . .
C7 C14 H14A 111.4 . .
C15 C14 H14B 111.4 . .
C7 C14 H14B 111.4 . .
H14A C14 H14B 109.2 . .
N2 C15 C16 121.5(2) . .
N2 C15 C14 112.9(2) . .
C16 C15 C14 125.5(2) . .
C29 C16 C17 118.5(2) . .
C29 C16 C15 121.2(2) . .
C17 C16 C15 120.3(2) . .
C18 C17 C16 121.1(2) . .
C18 C17 H17 119.4 . .
C16 C17 H17 119.4 . .
C17 C18 C19 122.1(2) . .
C17 C18 H18 118.9 . .
C19 C18 H18 118.9 . .
C20 C19 C18 122.4(2) . .
C20 C19 C28 120.8(2) . .
C18 C19 C28 116.9(2) . .
C19 C20 C21 119.7(2) . .
C19 C20 C30 118.7(2) . .
C21 C20 C30 121.6(2) . .
C20 C21 C22 123.4(2) . .
C20 C21 C26 119.4(2) . .
C22 C21 C26 117.2(2) . .
C23 C22 C21 121.1(2) . .
C23 C22 H22 119.4 . .
C21 C22 H22 119.4 . .
C22 C23 C24 121.0(2) . .
C22 C23 H23 119.5 . .
C24 C23 H23 119.5 . .
C25 C24 C23 120.1(2) . .
C25 C24 H24 120.0 . .
C23 C24 H24 120.0 . .
C24 C25 C26 121.1(2) . .
C24 C25 H25 119.5 . .
C26 C25 H25 119.5 . .
C27 C26 C25 120.9(2) . .
C27 C26 C21 119.6(2) . .
C25 C26 C21 119.4(2) . .
C28 C27 C26 121.8(2) . .
C28 C27 H27 119.1 . .
C26 C27 H27 119.1 . .
C27 C28 C29 121.5(2) . .
C27 C28 C19 118.7(2) . .
C29 C28 C19 119.7(2) . .
C16 C29 C28 121.6(2) . .
C16 C29 H29 119.2 . .
C28 C29 H29 119.2 . .
N3 C30 C20 112.96(17) . .
N3 C30 H30A 109.0 . .
C20 C30 H30A 109.0 . .
N3 C30 H30B 109.0 . .
C20 C30 H30B 109.0 . .
H30A C30 H30B 107.8 . .
N3 C31 C32 110.43(19) . .
N3 C31 H31A 109.6 . .
C32 C31 H31A 109.6 . .
N3 C31 H31B 109.6 . .
C32 C31 H31B 109.6 . .
H31A C31 H31B 108.1 . .
O1 C32 C31 112.57(18) . .
O1 C32 H32A 109.1 . .
C31 C32 H32A 109.1 . .
O1 C32 H32B 109.1 . .
C31 C32 H32B 109.1 . .
H32A C32 H32B 107.8 . .
O1 C33 C34 111.68(18) . .
O1 C33 H33A 109.3 . .
C34 C33 H33A 109.3 . .
O1 C33 H33B 109.3 . .
C34 C33 H33B 109.3 . .
H33A C33 H33B 107.9 . .
N3 C34 C33 110.10(18) . .
N3 C34 H34A 109.6 . .
C33 C34 H34A 109.6 . .
N3 C34 H34B 109.6 . .
C33 C34 H34B 109.6 . .
H34A C34 H34B 108.2 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
O1 C32 1.421(3) .
O1 C33 1.434(3) .
N1 C1 1.393(3) .
N1 N2 1.393(3) .
N1 C7 1.471(3) .
N2 C15 1.301(3) .
N3 C34 1.463(3) .
N3 C31 1.465(3) .
N3 C30 1.486(3) .
C1 C6 1.401(3) .
C1 C2 1.404(3) .
C2 C3 1.383(3) .
C2 H2 0.9500 .
C3 C4 1.387(4) .
C3 H3 0.9500 .
C4 C5 1.382(4) .
C4 H4 0.9500 .
C5 C6 1.395(3) .
C5 H5 0.9500 .
C6 H6 0.9500 .
C7 C8 1.522(3) .
C7 C14 1.539(3) .
C7 H7 1.0000 .
C8 C13 1.384(3) .
C8 C9 1.394(3) .
C9 C10 1.388(3) .
C9 H9 0.9500 .
C10 C11 1.386(4) .
C10 H10 0.9500 .
C11 C12 1.380(4) .
C11 H11 0.9500 .
C12 C13 1.386(4) .
C12 H12 0.9500 .
C13 H13 0.9500 .
C14 C15 1.507(3) .
C14 H14A 0.9900 .
C14 H14B 0.9900 .
C15 C16 1.458(3) .
C16 C29 1.376(3) .
C16 C17 1.434(3) .
C17 C18 1.362(3) .
C17 H17 0.9500 .
C18 C19 1.435(3) .
C18 H18 0.9500 .
C19 C20 1.411(3) .
C19 C28 1.438(3) .
C20 C21 1.421(3) .
C20 C30 1.514(3) .
C21 C22 1.433(3) .
C21 C26 1.441(3) .
C22 C23 1.363(3) .
C22 H22 0.9500 .
C23 C24 1.420(4) .
C23 H23 0.9500 .
C24 C25 1.349(3) .
C24 H24 0.9500 .
C25 C26 1.430(3) .
C25 H25 0.9500 .
C26 C27 1.401(3) .
C27 C28 1.396(3) .
C27 H27 0.9500 .
C28 C29 1.431(3) .
C29 H29 0.9500 .
C30 H30A 0.9900 .
C30 H30B 0.9900 .
C31 C32 1.516(3) .
C31 H31A 0.9900 .
C31 H31B 0.9900 .
C32 H32A 0.9900 .
C32 H32B 0.9900 .
C33 C34 1.506(3) .
C33 H33A 0.9900 .
C33 H33B 0.9900 .
C34 H34A 0.9900 .
C34 H34B 0.9900 .
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
C1 N1 N2 C15 -178.37(19) . . . .
C7 N1 N2 C15 -11.7(2) . . . .
N2 N1 C1 C6 -7.8(3) . . . .
C7 N1 C1 C6 -172.5(2) . . . .
N2 N1 C1 C2 174.89(18) . . . .
C7 N1 C1 C2 10.2(3) . . . .
N1 C1 C2 C3 178.6(2) . . . .
C6 C1 C2 C3 1.2(3) . . . .
C1 C2 C3 C4 0.2(3) . . . .
C2 C3 C4 C5 -1.0(4) . . . .
C3 C4 C5 C6 0.3(4) . . . .
C4 C5 C6 C1 1.2(4) . . . .
N1 C1 C6 C5 -179.2(2) . . . .
C2 C1 C6 C5 -1.9(3) . . . .
C1 N1 C7 C8 65.2(3) . . . .
N2 N1 C7 C8 -100.6(2) . . . .
C1 N1 C7 C14 -174.6(2) . . . .
N2 N1 C7 C14 19.6(2) . . . .
N1 C7 C8 C13 -138.0(2) . . . .
C14 C7 C8 C13 108.8(3) . . . .
N1 C7 C8 C9 46.5(3) . . . .
C14 C7 C8 C9 -66.7(3) . . . .
C13 C8 C9 C10 -1.0(4) . . . .
C7 C8 C9 C10 174.7(2) . . . .
C8 C9 C10 C11 0.5(4) . . . .
C9 C10 C11 C12 1.0(4) . . . .
C10 C11 C12 C13 -1.9(4) . . . .
C9 C8 C13 C12 0.0(4) . . . .
C7 C8 C13 C12 -175.6(2) . . . .
C11 C12 C13 C8 1.4(4) . . . .
N1 C7 C14 C15 -18.7(2) . . . .
C8 C7 C14 C15 101.9(2) . . . .
N1 N2 C15 C16 -179.75(17) . . . .
N1 N2 C15 C14 -2.3(2) . . . .
C7 C14 C15 N2 14.2(2) . . . .
C7 C14 C15 C16 -168.52(19) . . . .
N2 C15 C16 C29 -170.5(2) . . . .
C14 C15 C16 C29 12.4(3) . . . .
N2 C15 C16 C17 9.5(3) . . . .
C14 C15 C16 C17 -167.6(2) . . . .
C29 C16 C17 C18 1.0(3) . . . .
C15 C16 C17 C18 -179.0(2) . . . .
C16 C17 C18 C19 0.0(3) . . . .
C17 C18 C19 C20 -179.8(2) . . . .
C17 C18 C19 C28 -0.4(3) . . . .
C18 C19 C20 C21 178.43(19) . . . .
C28 C19 C20 C21 -1.0(3) . . . .
C18 C19 C20 C30 -0.7(3) . . . .
C28 C19 C20 C30 179.83(19) . . . .
C19 C20 C21 C22 -179.19(18) . . . .
C30 C20 C21 C22 0.0(3) . . . .
C19 C20 C21 C26 -0.2(3) . . . .
C30 C20 C21 C26 178.94(18) . . . .
C20 C21 C22 C23 176.9(2) . . . .
C26 C21 C22 C23 -2.0(3) . . . .
C21 C22 C23 C24 -0.7(4) . . . .
C22 C23 C24 C25 2.2(4) . . . .
C23 C24 C25 C26 -0.8(3) . . . .
C24 C25 C26 C27 -179.8(2) . . . .
C24 C25 C26 C21 -2.0(3) . . . .
C20 C21 C26 C27 2.1(3) . . . .
C22 C21 C26 C27 -178.85(19) . . . .
C20 C21 C26 C25 -175.6(2) . . . .
C22 C21 C26 C25 3.4(3) . . . .
C25 C26 C27 C28 174.8(2) . . . .
C21 C26 C27 C28 -2.9(3) . . . .
C26 C27 C28 C29 -177.26(19) . . . .
C26 C27 C28 C19 1.7(3) . . . .
C20 C19 C28 C27 0.3(3) . . . .
C18 C19 C28 C27 -179.2(2) . . . .
C20 C19 C28 C29 179.25(19) . . . .
C18 C19 C28 C29 -0.2(3) . . . .
C17 C16 C29 C28 -1.6(3) . . . .
C15 C16 C29 C28 178.40(18) . . . .
C27 C28 C29 C16 -179.9(2) . . . .
C19 C28 C29 C16 1.2(3) . . . .
C34 N3 C30 C20 63.8(2) . . . .
C31 N3 C30 C20 -176.11(18) . . . .
C19 C20 C30 N3 74.8(3) . . . .
C21 C20 C30 N3 -104.3(2) . . . .
C34 N3 C31 C32 -56.3(2) . . . .
C30 N3 C31 C32 -178.31(19) . . . .
C33 O1 C32 C31 -56.5(2) . . . .
N3 C31 C32 O1 57.1(3) . . . .
C32 O1 C33 C34 57.8(2) . . . .
C31 N3 C34 C33 57.9(2) . . . .
C30 N3 C34 C33 178.46(18) . . . .
O1 C33 C34 N3 -59.8(3) . . . .
