#------------------------------------------------------------------------------
#$Date: 2021-04-05 17:19:02 +0300 (Mon, 05 Apr 2021) $
#$Revision: 263683 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/56/02/1560213.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_1560213
loop_
_publ_author_name
'Yanagi, Tomoyuki'
'Tanaka, Takayuki'
'Yorimitsu, Hideki'
_publ_section_title
;
 Asymmetric systematic synthesis, structures, and (chir)optical properties
 of a series of dihetero[8]helicenes
;
_journal_issue                   8
_journal_name_full               'Chemical Science'
_journal_page_first              2784
_journal_page_last               2793
_journal_paper_doi               10.1039/D1SC00044F
_journal_volume                  12
_journal_year                    2021
_chemical_formula_moiety         'C30 H18 N2'
_chemical_formula_sum            'C30 H18 N2'
_chemical_formula_weight         406.46
_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
_audit_update_record
;
2020-12-01 deposited with the CCDC.	2021-01-29 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 91.5160(10)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   15.99580(10)
_cell_length_b                   15.94920(10)
_cell_length_c                   7.81480(10)
_cell_measurement_reflns_used    19236
_cell_measurement_temperature    93(2)
_cell_measurement_theta_max      72.7080
_cell_measurement_theta_min      2.7750
_cell_volume                     1993.02(3)
_computing_cell_refinement       'CrysAlisPro 1.171.38.46 (Rigaku OD, 2015)'
_computing_data_collection       'CrysAlisPro 1.171.38.46 (Rigaku OD, 2015)'
_computing_data_reduction        'CrysAlisPro 1.171.38.46 (Rigaku OD, 2015)'
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_diffrn_ambient_temperature      93(2)
_diffrn_detector_area_resol_mean 5.8140
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.989
_diffrn_measurement_device_type  'Rigaku XtaLAB P200'
_diffrn_measurement_method       ω
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54184
_diffrn_reflns_av_R_equivalents  0.0202
_diffrn_reflns_av_unetI/netI     0.0111
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.989
_diffrn_reflns_limit_h_max       19
_diffrn_reflns_limit_h_min       -19
_diffrn_reflns_limit_k_max       19
_diffrn_reflns_limit_k_min       -19
_diffrn_reflns_limit_l_max       9
_diffrn_reflns_limit_l_min       -9
_diffrn_reflns_number            27002
_diffrn_reflns_point_group_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.989
_diffrn_reflns_theta_full        67.684
_diffrn_reflns_theta_max         72.897
_diffrn_reflns_theta_min         2.763
_exptl_absorpt_coefficient_mu    0.613
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.73978
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'REQAB (Rigaku, 1998)'
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.355
_exptl_crystal_description       Prism
_exptl_crystal_F_000             848
_exptl_crystal_size_max          0.280
_exptl_crystal_size_mid          0.170
_exptl_crystal_size_min          0.030
_refine_diff_density_max         0.159
_refine_diff_density_min         -0.270
_refine_diff_density_rms         0.047
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.049
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     289
_refine_ls_number_reflns         3935
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.049
_refine_ls_R_factor_all          0.0394
_refine_ls_R_factor_gt           0.0380
_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)+(0.0482P)²+0.6572P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0937
_refine_ls_wR_factor_ref         0.0948
_reflns_Friedel_coverage         0.000
_reflns_number_gt                3738
_reflns_number_total             3935
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d1sc00044f2.cif
_cod_data_source_block           191108ueta_a
_cod_depositor_comments
'Adding full bibliography for 1560212--1560217.cif.'
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               1560213
_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   0.847
_shelx_estimated_absorpt_t_max   0.982
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
N1 N 0.19332(6) 0.29719(6) -0.02631(12) 0.0283(2) Uani 1 1 d . . . . .
H1 H 0.1703 0.2643 -0.1047 0.034 Uiso 1 1 calc R U . . .
N2 N 0.47444(6) 0.58172(7) 0.37356(13) 0.0323(2) Uani 1 1 d . . . . .
H2 H 0.5201 0.6025 0.4225 0.039 Uiso 1 1 calc R U . . .
C12 C 0.20990(7) 0.38063(6) 0.20652(14) 0.0220(2) Uani 1 1 d . . . . .
C13 C 0.25644(7) 0.59809(7) 0.25718(13) 0.0225(2) Uani 1 1 d . . . . .
C14 C 0.19996(7) 0.56740(7) 0.12953(14) 0.0230(2) Uani 1 1 d . . . . .
H3 H 0.2169 0.5230 0.0572 0.028 Uiso 1 1 calc R U . . .
C15 C 0.18516(7) 0.40933(6) 0.37168(14) 0.0222(2) Uani 1 1 d . . . . .
C16 C 0.28768(7) 0.37934(7) 0.11547(13) 0.0227(2) Uani 1 1 d . . . . .
C17 C 0.36799(7) 0.41873(7) 0.13634(13) 0.0235(2) Uani 1 1 d . . . . .
C18 C 0.09922(7) 0.40090(7) 0.41316(15) 0.0250(2) Uani 1 1 d . . . . .
C19 C 0.33942(7) 0.56630(7) 0.28669(13) 0.0236(2) Uani 1 1 d . . . . .
C20 C 0.15276(7) 0.33211(7) 0.10906(14) 0.0251(2) Uani 1 1 d . . . . .
C21 C 0.38679(7) 0.49490(7) 0.22660(14) 0.0241(2) Uani 1 1 d . . . . .
C22 C 0.24166(7) 0.43853(7) 0.50074(14) 0.0242(2) Uani 1 1 d . . . . .
H4 H 0.2996 0.4415 0.4780 0.029 Uiso 1 1 calc R U . . .
C23 C 0.12118(7) 0.60051(7) 0.10820(14) 0.0266(2) Uani 1 1 d . . . . .
H5 H 0.0841 0.5784 0.0226 0.032 Uiso 1 1 calc R U . . .
C24 C 0.27554(7) 0.32176(7) -0.01974(14) 0.0264(2) Uani 1 1 d . . . . .
C25 C 0.23138(8) 0.66909(7) 0.35463(14) 0.0273(2) Uani 1 1 d . . . . .
C26 C 0.47091(7) 0.51075(8) 0.27426(14) 0.0288(3) Uani 1 1 d . . . . .
C27 C 0.06814(7) 0.32238(7) 0.15158(16) 0.0293(3) Uani 1 1 d . . . . .
H6 H 0.0306 0.2909 0.0806 0.035 Uiso 1 1 calc R U . . .
C28 C 0.39563(7) 0.61537(8) 0.38478(15) 0.0286(3) Uani 1 1 d . . . . .
C29 C 0.14951(8) 0.70090(7) 0.33086(15) 0.0308(3) Uani 1 1 d . . . . .
H7 H 0.1320 0.7468 0.3986 0.037 Uiso 1 1 calc R U . . .
C30 C 0.43638(7) 0.37734(7) 0.05736(15) 0.0283(3) Uani 1 1 d . . . . .
C31 C 0.09504(8) 0.66703(7) 0.21235(15) 0.0300(3) Uani 1 1 d . . . . .
H8 H 0.0397 0.6883 0.2003 0.036 Uiso 1 1 calc R U . . .
C32 C 0.21409(8) 0.46259(8) 0.65821(15) 0.0301(3) Uani 1 1 d . . . . .
H9 H 0.2531 0.4817 0.7432 0.036 Uiso 1 1 calc R U . . .
C33 C 0.04182(7) 0.35960(7) 0.29791(16) 0.0289(3) Uani 1 1 d . . . . .
H10 H -0.0159 0.3580 0.3237 0.035 Uiso 1 1 calc R U . . .
C34 C 0.07267(7) 0.42886(7) 0.57466(16) 0.0299(3) Uani 1 1 d . . . . .
H11 H 0.0150 0.4265 0.6003 0.036 Uiso 1 1 calc R U . . .
C35 C 0.42025(8) 0.31486(8) -0.06982(16) 0.0324(3) Uani 1 1 d . . . . .
H12 H 0.4663 0.2893 -0.1236 0.039 Uiso 1 1 calc R U . . .
C36 C 0.12868(8) 0.45926(8) 0.69468(15) 0.0325(3) Uani 1 1 d . . . . .
H13 H 0.1098 0.4781 0.8024 0.039 Uiso 1 1 calc R U . . .
C37 C 0.37077(9) 0.68551(8) 0.48058(16) 0.0350(3) Uani 1 1 d . . . . .
H14 H 0.4099 0.7150 0.5516 0.042 Uiso 1 1 calc R U . . .
C38 C 0.52022(8) 0.40003(8) 0.10274(16) 0.0332(3) Uani 1 1 d . . . . .
H15 H 0.5649 0.3706 0.0524 0.040 Uiso 1 1 calc R U . . .
C39 C 0.34153(8) 0.29052(7) -0.11704(15) 0.0314(3) Uani 1 1 d . . . . .
H16 H 0.3315 0.2541 -0.2115 0.038 Uiso 1 1 calc R U . . .
C40 C 0.53814(7) 0.46270(9) 0.21621(16) 0.0343(3) Uani 1 1 d . . . . .
H17 H 0.5939 0.4735 0.2547 0.041 Uiso 1 1 calc R U . . .
C41 C 0.28960(9) 0.70982(8) 0.46883(16) 0.0340(3) Uani 1 1 d . . . . .
H18 H 0.2711 0.7548 0.5379 0.041 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'
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
C24 N1 C20 109.10(9) . . ?
C24 N1 H1 125.4 . . ?
C20 N1 H1 125.4 . . ?
C26 N2 C28 109.50(9) . . ?
C26 N2 H2 125.3 . . ?
C28 N2 H2 125.3 . . ?
C20 C12 C15 118.16(10) . . ?
C20 C12 C16 106.28(9) . . ?
C15 C12 C16 134.97(10) . . ?
C14 C13 C25 117.85(10) . . ?
C14 C13 C19 124.19(10) . . ?
C25 C13 C19 117.81(10) . . ?
C23 C14 C13 121.30(10) . . ?
C23 C14 H3 119.4 . . ?
C13 C14 H3 119.4 . . ?
C22 C15 C18 118.03(10) . . ?
C22 C15 C12 124.05(10) . . ?
C18 C15 C12 117.68(10) . . ?
C24 C16 C17 118.39(10) . . ?
C24 C16 C12 105.91(9) . . ?
C17 C16 C12 135.66(10) . . ?
C30 C17 C21 116.77(10) . . ?
C30 C17 C16 116.17(10) . . ?
C21 C17 C16 127.06(10) . . ?
C34 C18 C15 119.13(10) . . ?
C34 C18 C33 120.29(10) . . ?
C15 C18 C33 120.45(10) . . ?
C28 C19 C13 117.86(10) . . ?
C28 C19 C21 106.34(10) . . ?
C13 C19 C21 135.55(10) . . ?
N1 C20 C12 109.07(10) . . ?
N1 C20 C27 127.77(10) . . ?
C12 C20 C27 123.15(11) . . ?
C26 C21 C17 117.95(10) . . ?
C26 C21 C19 106.05(10) . . ?
C17 C21 C19 135.99(10) . . ?
C32 C22 C15 121.10(10) . . ?
C32 C22 H4 119.5 . . ?
C15 C22 H4 119.5 . . ?
C14 C23 C31 120.38(11) . . ?
C14 C23 H5 119.8 . . ?
C31 C23 H5 119.8 . . ?
N1 C24 C39 127.61(11) . . ?
N1 C24 C16 109.09(10) . . ?
C39 C24 C16 123.02(11) . . ?
C29 C25 C13 119.16(10) . . ?
C29 C25 C41 120.37(11) . . ?
C13 C25 C41 120.40(11) . . ?
N2 C26 C40 127.71(11) . . ?
N2 C26 C21 108.79(10) . . ?
C40 C26 C21 123.38(11) . . ?
C33 C27 C20 117.95(10) . . ?
C33 C27 H6 121.0 . . ?
C20 C27 H6 121.0 . . ?
N2 C28 C19 108.81(10) . . ?
N2 C28 C37 128.01(11) . . ?
C19 C28 C37 123.15(11) . . ?
C31 C29 C25 121.31(11) . . ?
C31 C29 H7 119.3 . . ?
C25 C29 H7 119.3 . . ?
C38 C30 C35 120.18(11) . . ?
C38 C30 C17 120.04(11) . . ?
C35 C30 C17 119.76(11) . . ?
C29 C31 C23 119.76(11) . . ?
C29 C31 H8 120.1 . . ?
C23 C31 H8 120.1 . . ?
C22 C32 C36 120.59(11) . . ?
C22 C32 H9 119.7 . . ?
C36 C32 H9 119.7 . . ?
C27 C33 C18 121.39(10) . . ?
C27 C33 H10 119.3 . . ?
C18 C33 H10 119.3 . . ?
C36 C34 C18 121.11(11) . . ?
C36 C34 H11 119.4 . . ?
C18 C34 H11 119.4 . . ?
C39 C35 C30 122.54(11) . . ?
C39 C35 H12 118.7 . . ?
C30 C35 H12 118.7 . . ?
C34 C36 C32 119.81(11) . . ?
C34 C36 H13 120.1 . . ?
C32 C36 H13 120.1 . . ?
C41 C37 C28 118.30(11) . . ?
C41 C37 H14 120.8 . . ?
C28 C37 H14 120.8 . . ?
C40 C38 C30 121.94(11) . . ?
C40 C38 H15 119.0 . . ?
C30 C38 H15 119.0 . . ?
C35 C39 C24 117.04(11) . . ?
C35 C39 H16 121.5 . . ?
C24 C39 H16 121.5 . . ?
C38 C40 C26 117.44(11) . . ?
C38 C40 H17 121.3 . . ?
C26 C40 H17 121.3 . . ?
C37 C41 C25 121.30(11) . . ?
C37 C41 H18 119.4 . . ?
C25 C41 H18 119.4 . . ?
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 C24 1.3719(15) . ?
N1 C20 1.3735(15) . ?
N1 H1 0.8800 . ?
N2 C26 1.3727(16) . ?
N2 C28 1.3752(16) . ?
N2 H2 0.8800 . ?
C12 C20 1.4062(15) . ?
C12 C15 1.4350(15) . ?
C12 C16 1.4497(15) . ?
C13 C14 1.4154(15) . ?
C13 C25 1.4279(15) . ?
C13 C19 1.4338(16) . ?
C14 C23 1.3724(16) . ?
C14 H3 0.9500 . ?
C15 C22 1.4151(15) . ?
C15 C18 1.4270(15) . ?
C16 C24 1.4096(15) . ?
C16 C17 1.4353(15) . ?
C17 C30 1.4316(15) . ?
C17 C21 1.4327(16) . ?
C18 C34 1.4144(16) . ?
C18 C33 1.4298(16) . ?
C19 C28 1.4043(15) . ?
C19 C21 1.4527(16) . ?
C20 C27 1.4108(16) . ?
C21 C26 1.4094(15) . ?
C22 C32 1.3730(16) . ?
C22 H4 0.9500 . ?
C23 C31 1.4074(16) . ?
C23 H5 0.9500 . ?
C24 C39 1.4082(16) . ?
C25 C29 1.4121(17) . ?
C25 C41 1.4289(17) . ?
C26 C40 1.4054(17) . ?
C27 C33 1.3649(18) . ?
C27 H6 0.9500 . ?
C28 C37 1.4092(18) . ?
C29 C31 1.3660(18) . ?
C29 H7 0.9500 . ?
C30 C38 1.4247(17) . ?
C30 C35 1.4262(17) . ?
C31 H8 0.9500 . ?
C32 C36 1.4040(17) . ?
C32 H9 0.9500 . ?
C33 H10 0.9500 . ?
C34 C36 1.3686(18) . ?
C34 H11 0.9500 . ?
C35 C39 1.3594(18) . ?
C35 H12 0.9500 . ?
C36 H13 0.9500 . ?
C37 C41 1.3559(19) . ?
C37 H14 0.9500 . ?
C38 C40 1.3616(19) . ?
C38 H15 0.9500 . ?
C39 H16 0.9500 . ?
C40 H17 0.9500 . ?
C41 H18 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
C25 C13 C14 C23 -4.80(15) . . . . ?
C19 C13 C14 C23 179.84(10) . . . . ?
C20 C12 C15 C22 162.46(10) . . . . ?
C16 C12 C15 C22 -7.32(19) . . . . ?
C20 C12 C15 C18 -11.80(14) . . . . ?
C16 C12 C15 C18 178.42(11) . . . . ?
C20 C12 C16 C24 -7.07(11) . . . . ?
C15 C12 C16 C24 163.55(11) . . . . ?
C20 C12 C16 C17 175.43(12) . . . . ?
C15 C12 C16 C17 -14.0(2) . . . . ?
C24 C16 C17 C30 -20.06(15) . . . . ?
C12 C16 C17 C30 157.21(12) . . . . ?
C24 C16 C17 C21 159.60(11) . . . . ?
C12 C16 C17 C21 -23.1(2) . . . . ?
C22 C15 C18 C34 5.63(15) . . . . ?
C12 C15 C18 C34 -179.76(10) . . . . ?
C22 C15 C18 C33 -170.15(10) . . . . ?
C12 C15 C18 C33 4.47(15) . . . . ?
C14 C13 C19 C28 163.84(10) . . . . ?
C25 C13 C19 C28 -11.52(15) . . . . ?
C14 C13 C19 C21 -9.48(19) . . . . ?
C25 C13 C19 C21 175.16(11) . . . . ?
C24 N1 C20 C12 -0.04(12) . . . . ?
C24 N1 C20 C27 -179.23(11) . . . . ?
C15 C12 C20 N1 -168.01(9) . . . . ?
C16 C12 C20 N1 4.48(12) . . . . ?
C15 C12 C20 C27 11.24(16) . . . . ?
C16 C12 C20 C27 -176.28(10) . . . . ?
C30 C17 C21 C26 -18.12(15) . . . . ?
C16 C17 C21 C26 162.22(11) . . . . ?
C30 C17 C21 C19 161.45(12) . . . . ?
C16 C17 C21 C19 -18.2(2) . . . . ?
C28 C19 C21 C26 -7.17(12) . . . . ?
C13 C19 C21 C26 166.68(12) . . . . ?
C28 C19 C21 C17 173.22(12) . . . . ?
C13 C19 C21 C17 -12.9(2) . . . . ?
C18 C15 C22 C32 -3.63(16) . . . . ?
C12 C15 C22 C32 -177.87(10) . . . . ?
C13 C14 C23 C31 0.82(16) . . . . ?
C20 N1 C24 C39 169.36(11) . . . . ?
C20 N1 C24 C16 -4.62(13) . . . . ?
C17 C16 C24 N1 -174.75(9) . . . . ?
C12 C16 C24 N1 7.23(12) . . . . ?
C17 C16 C24 C39 10.93(16) . . . . ?
C12 C16 C24 C39 -167.08(10) . . . . ?
C14 C13 C25 C29 5.53(15) . . . . ?
C19 C13 C25 C29 -178.81(10) . . . . ?
C14 C13 C25 C41 -171.56(10) . . . . ?
C19 C13 C25 C41 4.10(16) . . . . ?
C28 N2 C26 C40 172.78(12) . . . . ?
C28 N2 C26 C21 -3.20(13) . . . . ?
C17 C21 C26 N2 -173.90(9) . . . . ?
C19 C21 C26 N2 6.41(12) . . . . ?
C17 C21 C26 C40 9.91(17) . . . . ?
C19 C21 C26 C40 -169.78(11) . . . . ?
N1 C20 C27 C33 176.65(11) . . . . ?
C12 C20 C27 C33 -2.44(17) . . . . ?
C26 N2 C28 C19 -1.51(13) . . . . ?
C26 N2 C28 C37 176.60(12) . . . . ?
C13 C19 C28 N2 -169.72(9) . . . . ?
C21 C19 C28 N2 5.42(12) . . . . ?
C13 C19 C28 C37 12.06(17) . . . . ?
C21 C19 C28 C37 -172.81(11) . . . . ?
C13 C25 C29 C31 -2.40(17) . . . . ?
C41 C25 C29 C31 174.70(11) . . . . ?
C21 C17 C30 C38 14.78(16) . . . . ?
C16 C17 C30 C38 -165.52(10) . . . . ?
C21 C17 C30 C35 -163.67(10) . . . . ?
C16 C17 C30 C35 16.02(16) . . . . ?
C25 C29 C31 C23 -1.68(18) . . . . ?
C14 C23 C31 C29 2.52(17) . . . . ?
C15 C22 C32 C36 -0.40(18) . . . . ?
C20 C27 C33 C18 -5.50(17) . . . . ?
C34 C18 C33 C27 -171.30(11) . . . . ?
C15 C18 C33 C27 4.43(17) . . . . ?
C15 C18 C34 C36 -3.76(17) . . . . ?
C33 C18 C34 C36 172.02(11) . . . . ?
C38 C30 C35 C39 179.56(11) . . . . ?
C17 C30 C35 C39 -1.99(18) . . . . ?
C18 C34 C36 C32 -0.31(18) . . . . ?
C22 C32 C36 C34 2.44(18) . . . . ?
N2 C28 C37 C41 177.87(12) . . . . ?
C19 C28 C37 C41 -4.27(18) . . . . ?
C35 C30 C38 C40 176.14(12) . . . . ?
C17 C30 C38 C40 -2.31(18) . . . . ?
C30 C35 C39 C24 -7.92(18) . . . . ?
N1 C24 C39 C35 -169.81(11) . . . . ?
C16 C24 C39 C35 3.40(17) . . . . ?
C30 C38 C40 C26 -6.60(18) . . . . ?
N2 C26 C40 C38 -172.69(12) . . . . ?
C21 C26 C40 C38 2.75(18) . . . . ?
C28 C37 C41 C25 -3.84(19) . . . . ?
C29 C25 C41 C37 -173.25(12) . . . . ?
C13 C25 C41 C37 3.81(18) . . . . ?
