#------------------------------------------------------------------------------
#$Date: 2025-08-22 13:33:34 +0300 (Fri, 22 Aug 2025) $
#$Revision: 301861 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/15/13/7151373.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_7151373
loop_
_publ_author_name
'Mathias Düggeli'
'Catherine Goujon-Ginglinger'
'Sarah Richard Ducotterd'
'David Mauron'
'Christophe Bonte'
'Alexander von Zelewsky'
'Helen Stoeckli-Evans'
'Antonia Neels'
_publ_section_title
;
 Synthetic routes for a new family of chiral tetradentate ligands
 containing pyridine rings
;
_journal_issue                   11
_journal_name_full               'Org. Biomol. Chem.'
_journal_page_first              1894
_journal_page_last               1899
_journal_paper_doi               10.1039/b210625f
_journal_volume                  1
_journal_year                    2003
_chemical_formula_sum            'C48 H46 N4 O2'
_chemical_formula_weight         710.89
_space_group_IT_number           5
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  'C 2y'
_symmetry_space_group_name_H-M   'C 1 2 1'
_atom_sites_solution_hydrogens   difmap
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 99.673(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   20.7692(18)
_cell_length_b                   6.0863(4)
_cell_length_c                   14.9639(13)
_cell_measurement_reflns_used    6865
_cell_measurement_temperature    153(2)
_cell_measurement_theta_max      25.89
_cell_measurement_theta_min      1.99
_cell_volume                     1864.7(3)
_computing_cell_refinement       'CELL (Stoe IPDS Software, 2000)'
_computing_data_collection       'EXPOSE (Stoe IPDS Software, 2000)'
_computing_data_reduction        'INTEGRATE (Stoe IPDS Software, 2000)'
_computing_molecular_graphics    'PLATON99 (Spek, 1990)'
_computing_publication_material  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      153(2)
_diffrn_detector_area_resol_mean 0.81\%A
_diffrn_measured_fraction_theta_full 0.987
_diffrn_measured_fraction_theta_max 0.987
_diffrn_measurement_device_type  'STOE IPDS'
_diffrn_measurement_method       'phi oscillation'
_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  0.0369
_diffrn_reflns_av_sigmaI/netI    0.0429
_diffrn_reflns_limit_h_max       25
_diffrn_reflns_limit_h_min       -25
_diffrn_reflns_limit_k_max       7
_diffrn_reflns_limit_k_min       -7
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_number            7379
_diffrn_reflns_theta_full        25.89
_diffrn_reflns_theta_max         25.89
_diffrn_reflns_theta_min         1.99
_diffrn_standards_decay_%        0
_diffrn_standards_interval_time  0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    0.078
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.266
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       rod
_exptl_crystal_F_000             756
_exptl_crystal_size_max          0.50
_exptl_crystal_size_mid          0.30
_exptl_crystal_size_min          0.20
_refine_diff_density_max         0.344
_refine_diff_density_min         -0.350
_refine_diff_density_rms         0.111
_refine_ls_abs_structure_details 'Flack H D (1983), Acta Cryst. A39, 876-881'
_refine_ls_abs_structure_Flack   -1.4(15)
_refine_ls_extinction_coef       0.0184(16)
_refine_ls_extinction_expression Fc^*^==kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_extinction_method     SHELXL
_refine_ls_goodness_of_fit_ref   1.026
_refine_ls_hydrogen_treatment    refall
_refine_ls_matrix_type           full
_refine_ls_number_parameters     337
_refine_ls_number_reflns         3471
_refine_ls_number_restraints     1
_refine_ls_restrained_S_all      1.026
_refine_ls_R_factor_all          0.0425
_refine_ls_R_factor_gt           0.0334
_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)+(0.0500P)²] where P==(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0819
_refine_ls_wR_factor_ref         0.0847
_reflns_number_gt                2907
_reflns_number_total             3471
_reflns_threshold_expression     I>2sigma(I)
_cod_data_source_file            b210625f.txt
_cod_data_source_block           cpd8
_cod_depositor_comments
;
The following automatic conversions were performed:
'_atom_site_symetry_multiplicity' tag replaced with
'_atom_site_symmetry_multiplicity'.

Automatic conversion script
Id: cif_correct_tags 1440 2010-10-19 06:21:57Z saulius 

The following automatic conversions were performed:

'_exptl_crystal_density_meas' value 'none' was changed to '?' - the
value is perceived as not measured.

Automatic conversion script
Id: cif_fix_values 3008 2015-01-20 13:52:24Z robertas 
;
_cod_original_sg_symbol_H-M      'C 2'
_cod_database_code               7151373
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y, -z'
'x+1/2, y+1/2, z'
'-x+1/2, y+1/2, -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_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
N1 N -0.39923(6) -0.0476(2) -0.89411(9) 0.0213(3) Uani 1 1 d . . .
N2 N -0.27798(6) -0.2703(3) -0.71555(9) 0.0252(3) Uani 1 1 d . . .
O1 O -0.02963(6) -0.4265(3) -0.41285(8) 0.0397(4) Uani 1 1 d . . .
C1 C -0.34088(7) -0.0686(3) -0.83884(11) 0.0230(4) Uani 1 1 d . . .
C2 C -0.28862(7) 0.0698(3) -0.84541(11) 0.0282(4) Uani 1 1 d . . .
H2 H -0.2476(8) 0.058(3) -0.8037(11) 0.024(4) Uiso 1 1 d . . .
C3 C -0.29549(8) 0.2298(3) -0.91218(11) 0.0276(4) Uani 1 1 d . . .
H3 H -0.2587(9) 0.336(4) -0.9198(12) 0.032(5) Uiso 1 1 d . . .
C4 C -0.35416(7) 0.2499(3) -0.97073(11) 0.0227(4) Uani 1 1 d . . .
C5 C -0.36751(8) 0.4122(3) -1.04713(11) 0.0247(4) Uani 1 1 d . . .
H5 H -0.3286(9) 0.511(3) -1.0501(13) 0.033(5) Uiso 1 1 d . . .
C6 C -0.40179(8) 0.2914(3) -1.13491(11) 0.0248(4) Uani 1 1 d . . .
C7 C -0.46554(8) 0.3093(3) -1.09072(11) 0.0216(4) Uani 1 1 d . . .
H7 H -0.5077(8) 0.329(3) -1.1348(11) 0.017(4) Uiso 1 1 d . . .
C8 C -0.46962(7) 0.1211(3) -1.02435(11) 0.0201(4) Uani 1 1 d . . .
H8 H -0.4737(8) -0.020(3) -1.0581(11) 0.018(4) Uiso 1 1 d . . .
C9 C -0.40543(7) 0.1068(3) -0.95817(10) 0.0208(4) Uani 1 1 d . . .
C10 C -0.43458(8) 0.5173(3) -1.04138(12) 0.0251(4) Uani 1 1 d . . .
H10A H -0.4442(9) 0.650(4) -1.0817(13) 0.032(5) Uiso 1 1 d . . .
H10B H -0.4428(8) 0.547(3) -0.9789(11) 0.021(4) Uiso 1 1 d . . .
C11 C -0.37523(9) 0.0669(4) -1.15582(13) 0.0320(4) Uani 1 1 d . . .
H11A H -0.3686(10) -0.036(4) -1.1004(14) 0.039(6) Uiso 1 1 d . . .
H11B H -0.3313(12) 0.089(5) -1.1789(15) 0.061(7) Uiso 1 1 d . . .
H25 H -0.4067(12) -0.010(4) -1.2039(16) 0.054(7) Uiso 1 1 d . . .
C12 C -0.40755(9) 0.4353(4) -1.21940(12) 0.0324(5) Uani 1 1 d . . .
H12A H -0.4240(10) 0.591(4) -1.2113(14) 0.045(6) Uiso 1 1 d . . .
H12B H -0.3634(11) 0.454(4) -1.2369(14) 0.045(6) Uiso 1 1 d . . .
H12C H -0.4374(10) 0.366(4) -1.2725(15) 0.044(6) Uiso 1 1 d . . .
C13 C -0.33486(8) -0.2531(3) -0.77264(10) 0.0225(4) Uani 1 1 d . . .
C14 C -0.38581(8) -0.4028(3) -0.77268(11) 0.0264(4) Uani 1 1 d . . .
H14 H -0.4265(9) -0.378(3) -0.8154(12) 0.027(5) Uiso 1 1 d . . .
C15 C -0.37634(9) -0.5775(4) -0.71349(12) 0.0304(4) Uani 1 1 d . . .
H15 H -0.4108(10) -0.685(4) -0.7130(13) 0.038(6) Uiso 1 1 d . . .
C16 C -0.31762(8) -0.5984(4) -0.65572(12) 0.0282(4) Uani 1 1 d . . .
H16 H -0.3083(9) -0.723(4) -0.6137(13) 0.037(5) Uiso 1 1 d . . .
C17 C -0.26926(8) -0.4393(3) -0.65691(10) 0.0247(4) Uani 1 1 d . . .
C18 C -0.20624(8) -0.4445(3) -0.59273(11) 0.0258(4) Uani 1 1 d . . .
C19 C -0.16451(8) -0.2635(4) -0.58464(12) 0.0291(4) Uani 1 1 d . . .
H19 H -0.1775(9) -0.147(4) -0.6204(13) 0.032(5) Uiso 1 1 d . . .
C20 C -0.10630(8) -0.2618(4) -0.52482(12) 0.0309(4) Uani 1 1 d . . .
H20 H -0.0783(10) -0.131(4) -0.5208(13) 0.040(5) Uiso 1 1 d . . .
C21 C -0.08806(8) -0.4436(4) -0.47061(11) 0.0303(4) Uani 1 1 d . . .
C22 C -0.12858(9) -0.6241(4) -0.47632(13) 0.0374(5) Uani 1 1 d . . .
H22 H -0.1169(10) -0.750(4) -0.4375(15) 0.045(6) Uiso 1 1 d . . .
C23 C -0.18699(9) -0.6237(4) -0.53739(13) 0.0345(5) Uani 1 1 d . . .
H12 H -0.2151(10) -0.754(4) -0.5430(14) 0.044(6) Uiso 1 1 d . . .
C24 C -0.00348(11) -0.6230(5) -0.36845(17) 0.0539(7) Uani 1 1 d . . .
H24A H 0.0420(12) -0.588(4) -0.3412(15) 0.053(6) Uiso 1 1 d . . .
H24B H -0.0055(16) -0.769(7) -0.418(2) 0.113(12) Uiso 1 1 d . . .
H24C H -0.0272(12) -0.665(5) -0.3209(17) 0.061(8) Uiso 1 1 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'
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
_geom_angle_publ_flag
C9 N1 C1 118.31(14) . . ?
C13 N2 C17 118.89(15) . . ?
C21 O1 C24 117.14(18) . . ?
N1 C1 C2 121.96(16) . . ?
N1 C1 C13 116.36(14) . . ?
C2 C1 C13 121.65(14) . . ?
C3 C2 C1 119.32(14) . . ?
C3 C2 H2 119.1(11) . . ?
C1 C2 H2 121.5(11) . . ?
C4 C3 C2 119.53(16) . . ?
C4 C3 H3 118.0(11) . . ?
C2 C3 H3 122.5(11) . . ?
C3 C4 C9 117.73(16) . . ?
C3 C4 C5 124.87(16) . . ?
C9 C4 C5 117.39(14) . . ?
C4 C5 C10 106.40(13) . . ?
C4 C5 C6 109.21(15) . . ?
C10 C5 C6 87.38(12) . . ?
C4 C5 H5 112.1(11) . . ?
C10 C5 H5 119.2(11) . . ?
C6 C5 H5 119.6(11) . . ?
C11 C6 C12 108.96(15) . . ?
C11 C6 C5 117.59(15) . . ?
C12 C6 C5 112.71(15) . . ?
C11 C6 C7 120.33(15) . . ?
C12 C6 C7 110.63(14) . . ?
C5 C6 C7 84.92(12) . . ?
C8 C7 C10 111.51(13) . . ?
C8 C7 C6 111.23(13) . . ?
C10 C7 C6 86.91(12) . . ?
C8 C7 H7 112.2(10) . . ?
C10 C7 H7 117.2(10) . . ?
C6 C7 H7 115.4(9) . . ?
C9 C8 C7 109.10(13) . . ?
C9 C8 C8 112.61(16) . 2_453 ?
C7 C8 C8 116.19(11) . 2_453 ?
C9 C8 H8 105.9(10) . . ?
C7 C8 H8 109.0(10) . . ?
C8 C8 H8 103.4(10) 2_453 . ?
N1 C9 C4 123.11(13) . . ?
N1 C9 C8 118.41(14) . . ?
C4 C9 C8 118.38(14) . . ?
C5 C10 C7 86.63(13) . . ?
C5 C10 H10A 112.8(11) . . ?
C7 C10 H10A 110.1(11) . . ?
C5 C10 H10B 115.1(10) . . ?
C7 C10 H10B 118.2(10) . . ?
H10A C10 H10B 111.8(15) . . ?
C6 C11 H11A 112.5(12) . . ?
C6 C11 H11B 108.6(16) . . ?
H11A C11 H11B 110.0(18) . . ?
C6 C11 H25 110.6(14) . . ?
H11A C11 H25 106.0(18) . . ?
H11B C11 H25 109.1(18) . . ?
C6 C12 H12A 114.6(12) . . ?
C6 C12 H12B 109.5(13) . . ?
H12A C12 H12B 105.3(19) . . ?
C6 C12 H12C 111.3(13) . . ?
H12A C12 H12C 107.8(17) . . ?
H12B C12 H12C 108.0(17) . . ?
N2 C13 C14 122.41(16) . . ?
N2 C13 C1 116.70(14) . . ?
C14 C13 C1 120.86(14) . . ?
C15 C14 C13 118.50(15) . . ?
C15 C14 H14 123.4(12) . . ?
C13 C14 H14 118.1(11) . . ?
C14 C15 C16 119.41(18) . . ?
C14 C15 H15 119.9(13) . . ?
C16 C15 H15 120.7(13) . . ?
C15 C16 C17 119.37(18) . . ?
C15 C16 H16 122.0(12) . . ?
C17 C16 H16 118.6(12) . . ?
N2 C17 C16 121.36(15) . . ?
N2 C17 C18 116.41(16) . . ?
C16 C17 C18 122.23(15) . . ?
C23 C18 C19 117.18(16) . . ?
C23 C18 C17 122.41(17) . . ?
C19 C18 C17 120.39(16) . . ?
C20 C19 C18 121.80(19) . . ?
C20 C19 H19 121.5(13) . . ?
C18 C19 H19 116.7(13) . . ?
C19 C20 C21 119.85(19) . . ?
C19 C20 H20 119.5(12) . . ?
C21 C20 H20 120.6(12) . . ?
O1 C21 C22 124.53(18) . . ?
O1 C21 C20 115.72(18) . . ?
C22 C21 C20 119.74(16) . . ?
C21 C22 C23 119.70(19) . . ?
C21 C22 H22 120.4(13) . . ?
C23 C22 H22 119.9(13) . . ?
C18 C23 C22 121.7(2) . . ?
C18 C23 H12 118.6(13) . . ?
C22 C23 H12 119.6(13) . . ?
O1 C24 H24A 106.0(15) . . ?
O1 C24 H24B 111.8(18) . . ?
H24A C24 H24B 111(2) . . ?
O1 C24 H24C 111.1(16) . . ?
H24A C24 H24C 108.9(19) . . ?
H24B C24 H24C 108(2) . . ?
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 C9 1.333(2) . ?
N1 C1 1.354(2) . ?
N2 C13 1.341(2) . ?
N2 C17 1.344(2) . ?
O1 C21 1.371(2) . ?
O1 C24 1.430(3) . ?
C1 C2 1.390(2) . ?
C1 C13 1.489(2) . ?
C2 C3 1.385(3) . ?
C2 H2 0.969(17) . ?
C3 C4 1.381(2) . ?
C3 H3 1.02(2) . ?
C4 C9 1.412(2) . ?
C4 C5 1.501(2) . ?
C5 C10 1.548(2) . ?
C5 C6 1.568(2) . ?
C5 H5 1.02(2) . ?
C6 C11 1.526(3) . ?
C6 C12 1.526(2) . ?
C6 C7 1.580(2) . ?
C7 C8 1.528(2) . ?
C7 C10 1.550(2) . ?
C7 H7 1.011(17) . ?
C8 C9 1.524(2) . ?
C8 C8 1.560(3) 2_453 ?
C8 H8 0.990(19) . ?
C10 H10A 1.01(2) . ?
C10 H10B 0.994(17) . ?
C11 H11A 1.03(2) . ?
C11 H11B 1.04(2) . ?
C11 H25 1.00(3) . ?
C12 H12A 1.02(3) . ?
C12 H12B 1.00(2) . ?
C12 H12C 1.01(2) . ?
C13 C14 1.396(2) . ?
C14 C15 1.377(3) . ?
C14 H14 0.982(18) . ?
C15 C16 1.377(2) . ?
C15 H15 0.97(2) . ?
C16 C17 1.397(3) . ?
C16 H16 0.98(2) . ?
C17 C18 1.488(2) . ?
C18 C23 1.387(3) . ?
C18 C19 1.394(3) . ?
C19 C20 1.378(3) . ?
C19 H19 0.90(2) . ?
C20 C21 1.387(3) . ?
C20 H20 0.98(2) . ?
C21 C22 1.378(3) . ?
C22 C23 1.391(3) . ?
C22 H22 0.97(3) . ?
C23 H12 0.98(2) . ?
C24 H24A 0.99(2) . ?
C24 H24B 1.16(4) . ?
C24 H24C 0.97(3) . ?
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
C9 N1 C1 C2 2.0(2) . . . . ?
C9 N1 C1 C13 -175.88(14) . . . . ?
N1 C1 C2 C3 -2.0(3) . . . . ?
C13 C1 C2 C3 175.74(16) . . . . ?
C1 C2 C3 C4 0.3(3) . . . . ?
C2 C3 C4 C9 1.3(3) . . . . ?
C2 C3 C4 C5 -178.49(16) . . . . ?
C3 C4 C5 C10 -133.90(17) . . . . ?
C9 C4 C5 C10 46.32(19) . . . . ?
C3 C4 C5 C6 133.11(17) . . . . ?
C9 C4 C5 C6 -46.66(19) . . . . ?
C4 C5 C6 C11 -42.96(19) . . . . ?
C10 C5 C6 C11 -149.42(16) . . . . ?
C4 C5 C6 C12 -170.99(14) . . . . ?
C10 C5 C6 C12 82.55(16) . . . . ?
C4 C5 C6 C7 78.75(14) . . . . ?
C10 C5 C6 C7 -27.71(12) . . . . ?
C11 C6 C7 C8 34.9(2) . . . . ?
C12 C6 C7 C8 163.42(14) . . . . ?
C5 C6 C7 C8 -84.20(15) . . . . ?
C11 C6 C7 C10 146.82(16) . . . . ?
C12 C6 C7 C10 -84.68(16) . . . . ?
C5 C6 C7 C10 27.70(13) . . . . ?
C10 C7 C8 C9 -44.15(17) . . . . ?
C6 C7 C8 C9 51.06(17) . . . . ?
C10 C7 C8 C8 84.44(18) . . . 2_453 ?
C6 C7 C8 C8 179.65(14) . . . 2_453 ?
C1 N1 C9 C4 -0.3(2) . . . . ?
C1 N1 C9 C8 176.10(14) . . . . ?
C3 C4 C9 N1 -1.3(2) . . . . ?
C5 C4 C9 N1 178.45(15) . . . . ?
C3 C4 C9 C8 -177.74(16) . . . . ?
C5 C4 C9 C8 2.1(2) . . . . ?
C7 C8 C9 N1 179.73(14) . . . . ?
C8 C8 C9 N1 49.18(16) 2_453 . . . ?
C7 C8 C9 C4 -3.7(2) . . . . ?
C8 C8 C9 C4 -134.26(12) 2_453 . . . ?
C4 C5 C10 C7 -81.02(15) . . . . ?
C6 C5 C10 C7 28.23(12) . . . . ?
C8 C7 C10 C5 83.61(14) . . . . ?
C6 C7 C10 C5 -28.01(12) . . . . ?
C17 N2 C13 C14 0.9(2) . . . . ?
C17 N2 C13 C1 -177.41(14) . . . . ?
N1 C1 C13 N2 -177.75(15) . . . . ?
C2 C1 C13 N2 4.4(2) . . . . ?
N1 C1 C13 C14 4.0(2) . . . . ?
C2 C1 C13 C14 -173.94(18) . . . . ?
N2 C13 C14 C15 -1.8(3) . . . . ?
C1 C13 C14 C15 176.37(16) . . . . ?
C13 C14 C15 C16 0.6(3) . . . . ?
C14 C15 C16 C17 1.4(3) . . . . ?
C13 N2 C17 C16 1.3(2) . . . . ?
C13 N2 C17 C18 -177.56(15) . . . . ?
C15 C16 C17 N2 -2.4(3) . . . . ?
C15 C16 C17 C18 176.36(17) . . . . ?
N2 C17 C18 C23 -170.90(17) . . . . ?
C16 C17 C18 C23 10.3(3) . . . . ?
N2 C17 C18 C19 10.7(2) . . . . ?
C16 C17 C18 C19 -168.17(17) . . . . ?
C23 C18 C19 C20 0.4(3) . . . . ?
C17 C18 C19 C20 178.96(16) . . . . ?
C18 C19 C20 C21 -0.1(3) . . . . ?
C24 O1 C21 C22 12.3(3) . . . . ?
C24 O1 C21 C20 -168.71(18) . . . . ?
C19 C20 C21 O1 -179.59(16) . . . . ?
C19 C20 C21 C22 -0.6(3) . . . . ?
O1 C21 C22 C23 179.86(17) . . . . ?
C20 C21 C22 C23 1.0(3) . . . . ?
C19 C18 C23 C22 -0.1(3) . . . . ?
C17 C18 C23 C22 -178.56(17) . . . . ?
C21 C22 C23 C18 -0.6(3) . . . . ?
loop_
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_cod_related_entry_code
1 PubChem 11061537
