#------------------------------------------------------------------------------
#$Date: 2021-10-04 04:46:01 +0300 (Mon, 04 Oct 2021) $
#$Revision: 269536 $
#$URL: file:///home/coder/svn-repositories/cod/cif/8/00/05/8000550.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_8000550
loop_
_publ_author_name
'Sakamaki, Daisuke'
'Tanaka, Shunya'
'Tanaka, Katsuki'
'Takino, Mayu'
'Gon, Masayuki'
'Tanaka, Kazuo'
'Hirose, Takashi'
'Hirobe, Daichi'
'Yamamoto, Hiroshi M.'
'Fujiwara, Hideki'
_publ_section_title
;
 Double Heterohelicenes Composed of Benzo[b]- and
 Dibenzo[b,i]phenoxazine: A Comprehensive Comparison of
 Their Electronic and Chiroptical Properties.
;
_journal_issue                   38
_journal_name_full               'The journal of physical chemistry letters'
_journal_page_first              9283
_journal_page_last               9292
_journal_paper_doi               10.1021/acs.jpclett.1c02896
_journal_volume                  12
_journal_year                    2021
_chemical_formula_moiety         'C35 H26 N2 O2'
_chemical_formula_sum            'C35 H26 N2 O2'
_chemical_formula_weight         506.60
_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
_atom_sites_solution_secondary   difmap
_cell_angle_alpha                96.722(7)
_cell_angle_beta                 92.205(7)
_cell_angle_gamma                90.967(6)
_cell_formula_units_Z            2
_cell_length_a                   8.6191(6)
_cell_length_b                   11.0586(9)
_cell_length_c                   12.8995(9)
_cell_measurement_reflns_used    9072
_cell_measurement_temperature    173
_cell_measurement_theta_max      27.45
_cell_measurement_theta_min      3.04
_cell_volume                     1219.88(16)
_computing_cell_refinement       'RAPID AUTO'
_computing_data_collection       'RAPID AUTO (Rigaku, ????)'
_computing_data_reduction        'RAPID AUTO'
_computing_molecular_graphics    'CrystalStructure 4.3'
_computing_publication_material  'CrystalStructure 4.3 (Rigaku, 2018)'
_computing_structure_refinement  'SHELXL Version 2017/1 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXT Version 2014/5 (Sheldrick, 2014)'
_diffrn_ambient_temperature      173
_diffrn_detector_area_resol_mean 10.000
_diffrn_measured_fraction_theta_full 0.993
_diffrn_measured_fraction_theta_max 0.985
_diffrn_measurement_device_type  'Rigaku R-AXIS RAPID'
_diffrn_measurement_method       ω
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71075
_diffrn_reflns_av_R_equivalents  0.0286
_diffrn_reflns_av_unetI/netI     0.0373
_diffrn_reflns_Laue_measured_fraction_full 0.993
_diffrn_reflns_Laue_measured_fraction_max 0.985
_diffrn_reflns_limit_h_max       9
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_number            11816
_diffrn_reflns_point_group_measured_fraction_full 0.993
_diffrn_reflns_point_group_measured_fraction_max 0.985
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         27.446
_diffrn_reflns_theta_min         3.038
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    0.086
_exptl_absorpt_correction_T_max  0.991
_exptl_absorpt_correction_T_min  0.821
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'ABSCOR (Rigaku, 1995)'
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.379
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             532.00
_exptl_crystal_size_max          0.100
_exptl_crystal_size_mid          0.100
_exptl_crystal_size_min          0.100
_refine_diff_density_max         0.36
_refine_diff_density_min         -0.18
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.053
_refine_ls_hydrogen_treatment    constr
_refine_ls_number_parameters     352
_refine_ls_number_reflns         5498
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0692
_refine_ls_R_factor_gt           0.0442
_refine_ls_shift/su_max          0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w = 1/[σ²(Fo²)+(0.0474P)²+0.6047P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1100
_refine_ls_wR_factor_ref         0.1196
_reflns_Friedel_coverage         0.000
_reflns_number_gt                4034
_reflns_number_total             5498
_reflns_threshold_expression     F²>2.0σ(F²)
_cod_data_source_file            jz1c02896_si_003.cif
_cod_data_source_block           200213_BPO-dimer-Pr_dcm-MeOH_a
_cod_database_code               8000550
loop_
_space_group_symop_id
_space_group_symop_operation_xyz
1 +X,+Y,+Z
2 -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 0.45682(14) 0.92185(10) 0.15319(10) 0.0256(3) Uani 1 1 d . . . . .
O2 O 0.23814(14) 0.46575(10) 0.52679(9) 0.0244(3) Uani 1 1 d . . . . .
N1 N 0.41678(15) 0.71803(12) 0.26253(10) 0.0171(3) Uani 1 1 d . . . . .
N2 N 0.26370(16) 0.70076(12) 0.46349(11) 0.0190(3) Uani 1 1 d . . . . .
C1 C 0.57987(19) 0.87992(14) 0.21050(12) 0.0192(3) Uani 1 1 d . . . . .
C2 C 0.7193(2) 0.94403(15) 0.21314(13) 0.0228(4) Uani 1 1 d . . . . .
H2 H 0.728574 1.012218 0.175161 0.027 Uiso 1 1 calc R U . . .
C3 C 0.8457(2) 0.90856(15) 0.27139(14) 0.0236(4) Uani 1 1 d . . . . .
H3 H 0.942199 0.951589 0.272731 0.028 Uiso 1 1 calc R U . . .
C4 C 0.83010(19) 0.80978(15) 0.32769(13) 0.0221(3) Uani 1 1 d . . . . .
H4 H 0.916046 0.785698 0.368218 0.026 Uiso 1 1 calc R U . . .
C5 C 0.68936(19) 0.74585(14) 0.32508(13) 0.0198(3) Uani 1 1 d . . . . .
H5 H 0.679888 0.678570 0.364106 0.024 Uiso 1 1 calc R U . . .
C6 C 0.56226(18) 0.77947(14) 0.26588(12) 0.0172(3) Uani 1 1 d . . . . .
C7 C 0.30504(18) 0.74140(14) 0.18573(12) 0.0164(3) Uani 1 1 d . . . . .
C8 C 0.17223(18) 0.67139(14) 0.16252(12) 0.0186(3) Uani 1 1 d . . . . .
H8 H 0.157035 0.600591 0.196428 0.022 Uiso 1 1 calc R U . . .
C9 C 0.05696(19) 0.70259(14) 0.08883(12) 0.0190(3) Uani 1 1 d . . . . .
C10 C -0.0829(2) 0.63302(16) 0.06627(13) 0.0234(4) Uani 1 1 d . . . . .
H10 H -0.100146 0.562151 0.099704 0.028 Uiso 1 1 calc R U . . .
C11 C -0.1934(2) 0.66750(17) -0.00361(13) 0.0262(4) Uani 1 1 d . . . . .
H11 H -0.286805 0.620622 -0.017713 0.031 Uiso 1 1 calc R U . . .
C12 C -0.1691(2) 0.77151(17) -0.05424(13) 0.0259(4) Uani 1 1 d . . . . .
H12 H -0.246502 0.794759 -0.102056 0.031 Uiso 1 1 calc R U . . .
C13 C -0.0347(2) 0.83970(16) -0.03521(13) 0.0226(4) Uani 1 1 d . . . . .
H13 H -0.018791 0.909043 -0.070882 0.027 Uiso 1 1 calc R U . . .
C14 C 0.08070(18) 0.80764(14) 0.03723(12) 0.0183(3) Uani 1 1 d . . . . .
C15 C 0.21981(19) 0.87786(14) 0.06105(12) 0.0195(3) Uani 1 1 d . . . . .
H15 H 0.238007 0.947830 0.026610 0.023 Uiso 1 1 calc R U . . .
C16 C 0.32704(18) 0.84629(14) 0.13236(12) 0.0178(3) Uani 1 1 d . . . . .
C17 C 0.16036(19) 0.56148(14) 0.57835(12) 0.0190(3) Uani 1 1 d . . . . .
C18 C 0.0768(2) 0.53582(15) 0.66244(13) 0.0226(4) Uani 1 1 d . . . . .
H18 H 0.070628 0.454922 0.680154 0.027 Uiso 1 1 calc R U . . .
C19 C 0.0019(2) 0.62870(16) 0.72096(13) 0.0248(4) Uani 1 1 d . . . . .
H19 H -0.054199 0.612521 0.779967 0.030 Uiso 1 1 calc R U . . .
C20 C 0.0099(2) 0.74555(16) 0.69229(13) 0.0252(4) Uani 1 1 d . . . . .
H20 H -0.041904 0.809596 0.731634 0.030 Uiso 1 1 calc R U . . .
C21 C 0.0928(2) 0.76991(15) 0.60674(13) 0.0232(4) Uani 1 1 d . . . . .
H21 H 0.096031 0.850380 0.587849 0.028 Uiso 1 1 calc R U . . .
C22 C 0.17158(18) 0.67792(14) 0.54785(12) 0.0182(3) Uani 1 1 d . . . . .
C23 C 0.32887(18) 0.60176(14) 0.40287(12) 0.0163(3) Uani 1 1 d . . . . .
C24 C 0.40393(18) 0.60636(13) 0.30995(12) 0.0163(3) Uani 1 1 d . . . . .
C25 C 0.47052(18) 0.50077(14) 0.25471(12) 0.0165(3) Uani 1 1 d . . . . .
C26 C 0.54692(19) 0.50411(15) 0.15949(12) 0.0197(3) Uani 1 1 d . . . . .
H26 H 0.553845 0.578593 0.129811 0.024 Uiso 1 1 calc R U . . .
C27 C 0.6107(2) 0.40186(15) 0.10979(13) 0.0224(3) Uani 1 1 d . . . . .
H27 H 0.661068 0.406034 0.046037 0.027 Uiso 1 1 calc R U . . .
C28 C 0.6023(2) 0.28996(15) 0.15252(14) 0.0246(4) Uani 1 1 d . . . . .
H28 H 0.648279 0.219616 0.118112 0.030 Uiso 1 1 calc R U . . .
C29 C 0.5278(2) 0.28317(15) 0.24344(13) 0.0224(3) Uani 1 1 d . . . . .
H29 H 0.521555 0.207576 0.271409 0.027 Uiso 1 1 calc R U . . .
C30 C 0.46000(18) 0.38716(14) 0.29641(12) 0.0175(3) Uani 1 1 d . . . . .
C31 C 0.37962(19) 0.38285(14) 0.38910(12) 0.0187(3) Uani 1 1 d . . . . .
H31 H 0.370137 0.307752 0.417556 0.022 Uiso 1 1 calc R U . . .
C32 C 0.31579(18) 0.48359(14) 0.43825(12) 0.0172(3) Uani 1 1 d . . . . .
C33 C 0.32694(19) 0.82590(14) 0.46636(13) 0.0185(3) Uani 1 1 d . . . . .
H33A H 0.430249 0.822061 0.435298 0.022 Uiso 1 1 calc R U . . .
H33B H 0.342187 0.861150 0.540286 0.022 Uiso 1 1 calc R U . . .
C34 C 0.22610(19) 0.91162(14) 0.40919(13) 0.0196(3) Uani 1 1 d . . . . .
H34A H 0.201239 0.873892 0.336903 0.024 Uiso 1 1 calc R U . . .
H34B H 0.127277 0.924865 0.445100 0.024 Uiso 1 1 calc R U . . .
C35 C 0.3100(2) 1.03350(15) 0.40649(15) 0.0296(4) Uani 1 1 d . . . . .
H35A H 0.243727 1.087090 0.369626 0.036 Uiso 1 1 calc R U . . .
H35B H 0.333236 1.071351 0.478077 0.036 Uiso 1 1 calc R U . . .
H35C H 0.407091 1.020452 0.370036 0.036 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 for Crystallography
(Vol. C, Tables 4.2.6.8 and 6.1.1.4)
;
H H 0.0000 0.0000
;
International Tables for Crystallography
(Vol. C, Table 6.1.1.4)
;
O O 0.0106 0.0060
;
International Tables for Crystallography
(Vol. C, Tables 4.2.6.8 and 6.1.1.4)
;
N N 0.0061 0.0033
;
International Tables for Crystallography
(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
C16 O1 C1 117.66(12) . . ?
C32 O2 C17 119.25(12) . . ?
C7 N1 C6 118.37(12) . . ?
C7 N1 C24 118.92(13) . . ?
C6 N1 C24 119.19(13) . . ?
C23 N2 C22 118.95(13) . . ?
C23 N2 C33 121.82(13) . . ?
C22 N2 C33 116.10(13) . . ?
C2 C1 O1 117.08(14) . . ?
C2 C1 C6 121.47(15) . . ?
O1 C1 C6 121.42(14) . . ?
C1 C2 C3 119.85(15) . . ?
C1 C2 H2 120.1 . . ?
C3 C2 H2 120.1 . . ?
C2 C3 C4 119.55(15) . . ?
C2 C3 H3 120.2 . . ?
C4 C3 H3 120.2 . . ?
C3 C4 C5 120.37(16) . . ?
C3 C4 H4 119.8 . . ?
C5 C4 H4 119.8 . . ?
C4 C5 C6 120.67(15) . . ?
C4 C5 H5 119.7 . . ?
C6 C5 H5 119.7 . . ?
C5 C6 C1 118.09(14) . . ?
C5 C6 N1 122.33(14) . . ?
C1 C6 N1 119.55(14) . . ?
C8 C7 N1 123.18(14) . . ?
C8 C7 C16 118.38(14) . . ?
N1 C7 C16 118.38(14) . . ?
C7 C8 C9 121.46(14) . . ?
C7 C8 H8 119.3 . . ?
C9 C8 H8 119.3 . . ?
C14 C9 C10 118.71(15) . . ?
C14 C9 C8 119.22(14) . . ?
C10 C9 C8 122.07(15) . . ?
C11 C10 C9 120.50(16) . . ?
C11 C10 H10 119.8 . . ?
C9 C10 H10 119.8 . . ?
C10 C11 C12 120.45(16) . . ?
C10 C11 H11 119.8 . . ?
C12 C11 H11 119.8 . . ?
C13 C12 C11 120.50(16) . . ?
C13 C12 H12 119.8 . . ?
C11 C12 H12 119.8 . . ?
C12 C13 C14 120.52(16) . . ?
C12 C13 H13 119.7 . . ?
C14 C13 H13 119.7 . . ?
C13 C14 C9 119.31(15) . . ?
C13 C14 C15 122.17(15) . . ?
C9 C14 C15 118.52(14) . . ?
C16 C15 C14 120.88(14) . . ?
C16 C15 H15 119.6 . . ?
C14 C15 H15 119.6 . . ?
C15 C16 O1 117.07(14) . . ?
C15 C16 C7 121.53(14) . . ?
O1 C16 C7 121.38(14) . . ?
C18 C17 O2 116.44(14) . . ?
C18 C17 C22 122.70(15) . . ?
O2 C17 C22 120.83(14) . . ?
C17 C18 C19 119.61(15) . . ?
C17 C18 H18 120.2 . . ?
C19 C18 H18 120.2 . . ?
C18 C19 C20 119.15(15) . . ?
C18 C19 H19 120.4 . . ?
C20 C19 H19 120.4 . . ?
C19 C20 C21 120.68(16) . . ?
C19 C20 H20 119.7 . . ?
C21 C20 H20 119.7 . . ?
C20 C21 C22 121.06(15) . . ?
C20 C21 H21 119.5 . . ?
C22 C21 H21 119.5 . . ?
C17 C22 C21 116.79(14) . . ?
C17 C22 N2 120.64(14) . . ?
C21 C22 N2 122.53(14) . . ?
C24 C23 N2 126.14(13) . . ?
C24 C23 C32 115.96(14) . . ?
N2 C23 C32 117.89(13) . . ?
C23 C24 C25 122.21(13) . . ?
C23 C24 N1 121.56(14) . . ?
C25 C24 N1 116.21(13) . . ?
C26 C25 C30 118.10(14) . . ?
C26 C25 C24 122.78(14) . . ?
C30 C25 C24 119.13(14) . . ?
C27 C26 C25 121.08(14) . . ?
C27 C26 H26 119.5 . . ?
C25 C26 H26 119.5 . . ?
C26 C27 C28 120.53(15) . . ?
C26 C27 H27 119.7 . . ?
C28 C27 H27 119.7 . . ?
C29 C28 C27 119.90(16) . . ?
C29 C28 H28 120.0 . . ?
C27 C28 H28 120.0 . . ?
C28 C29 C30 120.90(15) . . ?
C28 C29 H29 119.5 . . ?
C30 C29 H29 119.5 . . ?
C31 C30 C29 122.38(14) . . ?
C31 C30 C25 118.14(14) . . ?
C29 C30 C25 119.47(14) . . ?
C32 C31 C30 121.24(14) . . ?
C32 C31 H31 119.4 . . ?
C30 C31 H31 119.4 . . ?
C31 C32 O2 115.07(13) . . ?
C31 C32 C23 123.21(14) . . ?
O2 C32 C23 121.71(14) . . ?
N2 C33 C34 115.03(13) . . ?
N2 C33 H33A 108.5 . . ?
C34 C33 H33A 108.5 . . ?
N2 C33 H33B 108.5 . . ?
C34 C33 H33B 108.5 . . ?
H33A C33 H33B 107.5 . . ?
C35 C34 C33 110.66(14) . . ?
C35 C34 H34A 109.5 . . ?
C33 C34 H34A 109.5 . . ?
C35 C34 H34B 109.5 . . ?
C33 C34 H34B 109.5 . . ?
H34A C34 H34B 108.1 . . ?
C34 C35 H35A 109.5 . . ?
C34 C35 H35B 109.5 . . ?
H35A C35 H35B 109.5 . . ?
C34 C35 H35C 109.5 . . ?
H35A C35 H35C 109.5 . . ?
H35B C35 H35C 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
O1 C16 1.3836(19) . ?
O1 C1 1.387(2) . ?
O2 C32 1.3778(18) . ?
O2 C17 1.3806(19) . ?
N1 C7 1.404(2) . ?
N1 C6 1.413(2) . ?
N1 C24 1.4453(18) . ?
N2 C23 1.407(2) . ?
N2 C22 1.415(2) . ?
N2 C33 1.4746(19) . ?
C1 C2 1.382(2) . ?
C1 C6 1.398(2) . ?
C2 C3 1.388(2) . ?
C2 H2 0.9500 . ?
C3 C4 1.388(2) . ?
C3 H3 0.9500 . ?
C4 C5 1.391(2) . ?
C4 H4 0.9500 . ?
C5 C6 1.392(2) . ?
C5 H5 0.9500 . ?
C7 C8 1.374(2) . ?
C7 C16 1.430(2) . ?
C8 C9 1.423(2) . ?
C8 H8 0.9500 . ?
C9 C14 1.420(2) . ?
C9 C10 1.421(2) . ?
C10 C11 1.376(2) . ?
C10 H10 0.9500 . ?
C11 C12 1.404(2) . ?
C11 H11 0.9500 . ?
C12 C13 1.370(2) . ?
C12 H12 0.9500 . ?
C13 C14 1.417(2) . ?
C13 H13 0.9500 . ?
C14 C15 1.421(2) . ?
C15 C16 1.358(2) . ?
C15 H15 0.9500 . ?
C17 C18 1.379(2) . ?
C17 C22 1.393(2) . ?
C18 C19 1.386(2) . ?
C18 H18 0.9500 . ?
C19 C20 1.386(2) . ?
C19 H19 0.9500 . ?
C20 C21 1.387(2) . ?
C20 H20 0.9500 . ?
C21 C22 1.398(2) . ?
C21 H21 0.9500 . ?
C23 C24 1.389(2) . ?
C23 C32 1.438(2) . ?
C24 C25 1.435(2) . ?
C25 C26 1.420(2) . ?
C25 C30 1.426(2) . ?
C26 C27 1.368(2) . ?
C26 H26 0.9500 . ?
C27 C28 1.414(2) . ?
C27 H27 0.9500 . ?
C28 C29 1.367(2) . ?
C28 H28 0.9500 . ?
C29 C30 1.414(2) . ?
C29 H29 0.9500 . ?
C30 C31 1.410(2) . ?
C31 C32 1.352(2) . ?
C31 H31 0.9500 . ?
C33 C34 1.530(2) . ?
C33 H33A 0.9900 . ?
C33 H33B 0.9900 . ?
C34 C35 1.523(2) . ?
C34 H34A 0.9900 . ?
C34 H34B 0.9900 . ?
C35 H35A 0.9800 . ?
C35 H35B 0.9800 . ?
C35 H35C 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
C16 O1 C1 C2 167.39(15) . . . . ?
C16 O1 C1 C6 -14.6(2) . . . . ?
O1 C1 C2 C3 178.30(15) . . . . ?
C6 C1 C2 C3 0.3(3) . . . . ?
C1 C2 C3 C4 -0.9(3) . . . . ?
C2 C3 C4 C5 0.6(3) . . . . ?
C3 C4 C5 C6 0.2(3) . . . . ?
C4 C5 C6 C1 -0.8(2) . . . . ?
C4 C5 C6 N1 -179.00(15) . . . . ?
C2 C1 C6 C5 0.6(2) . . . . ?
O1 C1 C6 C5 -177.39(15) . . . . ?
C2 C1 C6 N1 178.80(15) . . . . ?
O1 C1 C6 N1 0.9(2) . . . . ?
C7 N1 C6 C5 -167.47(15) . . . . ?
C24 N1 C6 C5 -8.8(2) . . . . ?
C7 N1 C6 C1 14.4(2) . . . . ?
C24 N1 C6 C1 173.00(14) . . . . ?
C6 N1 C7 C8 167.47(15) . . . . ?
C24 N1 C7 C8 8.8(2) . . . . ?
C6 N1 C7 C16 -15.4(2) . . . . ?
C24 N1 C7 C16 -174.14(14) . . . . ?
N1 C7 C8 C9 175.92(14) . . . . ?
C16 C7 C8 C9 -1.2(2) . . . . ?
C7 C8 C9 C14 0.8(2) . . . . ?
C7 C8 C9 C10 -178.18(16) . . . . ?
C14 C9 C10 C11 -0.5(2) . . . . ?
C8 C9 C10 C11 178.46(16) . . . . ?
C9 C10 C11 C12 0.5(3) . . . . ?
C10 C11 C12 C13 0.4(3) . . . . ?
C11 C12 C13 C14 -1.1(3) . . . . ?
C12 C13 C14 C9 1.1(2) . . . . ?
C12 C13 C14 C15 -178.35(16) . . . . ?
C10 C9 C14 C13 -0.3(2) . . . . ?
C8 C9 C14 C13 -179.24(15) . . . . ?
C10 C9 C14 C15 179.19(15) . . . . ?
C8 C9 C14 C15 0.2(2) . . . . ?
C13 C14 C15 C16 178.69(15) . . . . ?
C9 C14 C15 C16 -0.7(2) . . . . ?
C14 C15 C16 O1 -178.03(14) . . . . ?
C14 C15 C16 C7 0.3(2) . . . . ?
C1 O1 C16 C15 -168.38(14) . . . . ?
C1 O1 C16 C7 13.3(2) . . . . ?
C8 C7 C16 C15 0.6(2) . . . . ?
N1 C7 C16 C15 -176.60(15) . . . . ?
C8 C7 C16 O1 178.92(14) . . . . ?
N1 C7 C16 O1 1.7(2) . . . . ?
C32 O2 C17 C18 175.99(15) . . . . ?
C32 O2 C17 C22 -6.1(2) . . . . ?
O2 C17 C18 C19 176.93(15) . . . . ?
C22 C17 C18 C19 -1.0(3) . . . . ?
C17 C18 C19 C20 1.3(3) . . . . ?
C18 C19 C20 C21 -0.6(3) . . . . ?
C19 C20 C21 C22 -0.6(3) . . . . ?
C18 C17 C22 C21 -0.2(2) . . . . ?
O2 C17 C22 C21 -178.02(15) . . . . ?
C18 C17 C22 N2 177.51(16) . . . . ?
O2 C17 C22 N2 -0.3(2) . . . . ?
C20 C21 C22 C17 1.0(3) . . . . ?
C20 C21 C22 N2 -176.66(16) . . . . ?
C23 N2 C22 C17 7.5(2) . . . . ?
C33 N2 C22 C17 -152.84(15) . . . . ?
C23 N2 C22 C21 -174.87(15) . . . . ?
C33 N2 C22 C21 24.8(2) . . . . ?
C22 N2 C23 C24 170.83(15) . . . . ?
C33 N2 C23 C24 -30.0(2) . . . . ?
C22 N2 C23 C32 -8.2(2) . . . . ?
C33 N2 C23 C32 151.03(14) . . . . ?
N2 C23 C24 C25 178.36(14) . . . . ?
C32 C23 C24 C25 -2.6(2) . . . . ?
N2 C23 C24 N1 -2.8(2) . . . . ?
C32 C23 C24 N1 176.27(14) . . . . ?
C7 N1 C24 C23 -94.10(18) . . . . ?
C6 N1 C24 C23 107.37(17) . . . . ?
C7 N1 C24 C25 84.85(18) . . . . ?
C6 N1 C24 C25 -73.67(18) . . . . ?
C23 C24 C25 C26 179.72(15) . . . . ?
N1 C24 C25 C26 0.8(2) . . . . ?
C23 C24 C25 C30 -0.2(2) . . . . ?
N1 C24 C25 C30 -179.13(13) . . . . ?
C30 C25 C26 C27 -0.9(2) . . . . ?
C24 C25 C26 C27 179.16(15) . . . . ?
C25 C26 C27 C28 -0.2(3) . . . . ?
C26 C27 C28 C29 1.0(3) . . . . ?
C27 C28 C29 C30 -0.7(3) . . . . ?
C28 C29 C30 C31 178.65(16) . . . . ?
C28 C29 C30 C25 -0.5(2) . . . . ?
C26 C25 C30 C31 -177.91(15) . . . . ?
C24 C25 C30 C31 2.0(2) . . . . ?
C26 C25 C30 C29 1.2(2) . . . . ?
C24 C25 C30 C29 -178.85(15) . . . . ?
C29 C30 C31 C32 -179.99(16) . . . . ?
C25 C30 C31 C32 -0.9(2) . . . . ?
C30 C31 C32 O2 178.79(14) . . . . ?
C30 C31 C32 C23 -2.2(3) . . . . ?
C17 O2 C32 C31 -175.72(14) . . . . ?
C17 O2 C32 C23 5.2(2) . . . . ?
C24 C23 C32 C31 3.9(2) . . . . ?
N2 C23 C32 C31 -177.02(15) . . . . ?
C24 C23 C32 O2 -177.15(15) . . . . ?
N2 C23 C32 O2 2.0(2) . . . . ?
C23 N2 C33 C34 108.00(17) . . . . ?
C22 N2 C33 C34 -92.24(17) . . . . ?
N2 C33 C34 C35 -173.64(14) . . . . ?
