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#$Date: 2025-04-05 05:41:30 +0300 (Sat, 05 Apr 2025) $
#$Revision: 298862 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/24/99/7249982.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_7249982
loop_
_publ_author_name
'Baig, K. Mohamed Yusuf'
'Kole, Goutam Kumar'
_publ_section_title
;
 Cd(ii) complexes of 9-anthracenyl-4′-benzoate and 4-pyridyl vinyl
 arenes: effect of steric hindrance on the solid-state photoreactivity
;
_journal_issue                   11
_journal_name_full               CrystEngComm
_journal_page_first              1657
_journal_page_last               1667
_journal_paper_doi               10.1039/D4CE01221F
_journal_volume                  27
_journal_year                    2025
_chemical_formula_sum            'C24 H21 N O3'
_chemical_formula_weight         371.42
_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-2018/3
_audit_update_record
;
2024-10-26 deposited with the CCDC.	2025-02-05 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 114.7610(10)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   15.5236(5)
_cell_length_b                   7.6804(2)
_cell_length_c                   18.3531(5)
_cell_measurement_reflns_used    9899
_cell_measurement_temperature    298(2)
_cell_measurement_theta_max      27.11
_cell_measurement_theta_min      2.89
_cell_volume                     1987.02(10)
_computing_structure_refinement  'SHELXL-2018/3 (Sheldrick, 2018)'
_computing_structure_solution    'SHELXT 2018/2 (Sheldrick, 2018)'
_diffrn_ambient_temperature      298(2)
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0422
_diffrn_reflns_av_unetI/netI     0.0390
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.999
_diffrn_reflns_limit_h_max       19
_diffrn_reflns_limit_h_min       -19
_diffrn_reflns_limit_k_max       9
_diffrn_reflns_limit_k_min       -9
_diffrn_reflns_limit_l_max       22
_diffrn_reflns_limit_l_min       -22
_diffrn_reflns_number            19957
_diffrn_reflns_point_group_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.999
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         26.368
_diffrn_reflns_theta_min         2.259
_exptl_absorpt_coefficient_mu    0.082
_exptl_absorpt_correction_T_max  0.7455
_exptl_absorpt_correction_T_min  0.6611
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SadAbs 2016/2 (Bruker AXS)'
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.242
_exptl_crystal_description       block
_exptl_crystal_F_000             784
_exptl_crystal_size_max          0.380
_exptl_crystal_size_mid          0.250
_exptl_crystal_size_min          0.190
_refine_diff_density_max         0.153
_refine_diff_density_min         -0.146
_refine_diff_density_rms         0.033
_refine_ls_extinction_coef       0.0088(14)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_extinction_method     'SHELXL-2018/3 (Sheldrick 2018)'
_refine_ls_goodness_of_fit_ref   1.058
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     297
_refine_ls_number_reflns         4051
_refine_ls_number_restraints     20
_refine_ls_restrained_S_all      1.070
_refine_ls_R_factor_all          0.0584
_refine_ls_R_factor_gt           0.0463
_refine_ls_shift/su_max          0.008
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0596P)²+0.2763P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1238
_refine_ls_wR_factor_ref         0.1343
_reflns_Friedel_coverage         0.000
_reflns_number_gt                3176
_reflns_number_total             4051
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d4ce01221f4.cif
_cod_data_source_block           yb83-e
_cod_depositor_comments
'Adding full bibliography for 7249982--7249986.cif.'
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               7249982
_shelx_shelxl_version_number     2018/3
_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   0.970
_shelx_estimated_absorpt_t_max   0.985
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 0.42238(10) 0.16580(19) 0.40085(9) 0.0780(4) Uani 1 1 d . . . . .
C1 C 0.37014(13) 0.1194(2) 0.15713(10) 0.0708(4) Uani 1 1 d D U . . .
C2 C 0.31569(10) 0.25865(17) 0.17642(8) 0.0566(3) Uani 1 1 d . . . . .
C3 C 0.34329(11) 0.43058(19) 0.18014(11) 0.0690(4) Uani 1 1 d . . . . .
H3 H 0.396566 0.458710 0.171542 0.083 Uiso 1 1 calc R U . . .
C4 C 0.29297(11) 0.56098(18) 0.19643(10) 0.0665(4) Uani 1 1 d . . . . .
H4A H 0.312594 0.676016 0.198578 0.080 Uiso 1 1 calc R U . . .
C8 C 0.15768(9) 0.66618(16) 0.22453(8) 0.0504(3) Uani 1 1 d . . . . .
C7 C 0.23732(11) 0.21926(18) 0.19030(10) 0.0659(4) Uani 1 1 d . . . . .
H7 H 0.218155 0.103993 0.188410 0.079 Uiso 1 1 calc R U . . .
C6 C 0.18687(11) 0.34973(18) 0.20702(10) 0.0649(4) Uani 1 1 d . . . . .
H6 H 0.134345 0.321176 0.216652 0.078 Uiso 1 1 calc R U . . .
C13 C -0.05332(12) 0.9426(2) 0.10608(12) 0.0766(5) Uani 1 1 d . . . . .
H13 H -0.089824 1.029545 0.114534 0.092 Uiso 1 1 calc R U . . .
C10 C 0.05470(11) 0.68610(18) 0.07825(9) 0.0614(4) Uani 1 1 d . . . . .
H10 H 0.090281 0.601001 0.067348 0.074 Uiso 1 1 calc R U . . .
C11 C -0.02116(13) 0.7563(2) 0.01682(10) 0.0759(4) Uani 1 1 d . . . . .
H11 H -0.036731 0.718859 -0.035375 0.091 Uiso 1 1 calc R U . . .
C12 C -0.07669(14) 0.8852(2) 0.03114(12) 0.0830(5) Uani 1 1 d . . . . .
H12 H -0.129492 0.930571 -0.011297 0.100 Uiso 1 1 calc R U . . .
C14 C 0.02574(10) 0.87433(17) 0.17312(9) 0.0598(4) Uani 1 1 d . . . . .
C5 C 0.21376(9) 0.52278(16) 0.20959(8) 0.0511(3) Uani 1 1 d . . . . .
C15 C 0.04980(11) 0.93089(18) 0.25079(10) 0.0669(4) Uani 1 1 d . . . . .
H15 H 0.014332 1.019374 0.259544 0.080 Uiso 1 1 calc R U . . .
C9 C 0.08118(9) 0.73949(16) 0.15895(8) 0.0523(3) Uani 1 1 d . . . . .
C21 C 0.18062(9) 0.72444(17) 0.30284(8) 0.0547(3) Uani 1 1 d . . . . .
C20 C 0.25635(11) 0.6517(2) 0.37097(9) 0.0670(4) Uani 1 1 d . . . . .
H20 H 0.294290 0.565841 0.363770 0.080 Uiso 1 1 calc R U . . .
C17 C 0.14804(14) 0.9134(3) 0.39637(12) 0.0809(5) Uani 1 1 d . . . . .
H17 H 0.113246 1.002247 0.405742 0.097 Uiso 1 1 calc R U . . .
C16 C 0.12514(11) 0.85990(18) 0.31609(10) 0.0620(4) Uani 1 1 d . . . . .
C23 C 0.41424(18) -0.0100(3) 0.37069(16) 0.1111(7) Uani 1 1 d . . . . .
H23A H 0.348730 -0.036232 0.338338 0.167 Uiso 1 1 calc R U . . .
H23B H 0.438949 -0.089849 0.414919 0.167 Uiso 1 1 calc R U . . .
H23C H 0.449631 -0.020673 0.338761 0.167 Uiso 1 1 calc R U . . .
C24 C 0.36581(19) 0.2113(3) 0.44360(17) 0.1213(9) Uani 1 1 d . . . . .
H24A H 0.299964 0.212871 0.406927 0.182 Uiso 1 1 calc R U . . .
H24B H 0.384156 0.324410 0.467344 0.182 Uiso 1 1 calc R U . . .
H24C H 0.375701 0.126917 0.484928 0.182 Uiso 1 1 calc R U . . .
C19 C 0.27403(13) 0.7060(3) 0.44639(10) 0.0835(5) Uani 1 1 d . . . . .
H19 H 0.323069 0.655295 0.490185 0.100 Uiso 1 1 calc R U . . .
C18 C 0.21900(15) 0.8379(3) 0.45886(12) 0.0893(6) Uani 1 1 d . . . . .
H18 H 0.231779 0.873381 0.510832 0.107 Uiso 1 1 calc R U . . .
C22_1 C 0.4727(11) 0.278(2) 0.3866(10) 0.062(4) Uani 0.358(5) 1 d . . P A 1
H22_1 H 0.464049 0.394816 0.395751 0.075 Uiso 0.358(5) 1 calc R U P A 1
O1_1 O 0.4472(8) 0.161(3) 0.1608(11) 0.091(3) Uani 0.358(5) 1 d D U P A 1
O3_1 O 0.5355(3) 0.2410(5) 0.3600(3) 0.0876(15) Uani 0.358(5) 1 d . . P A 1
O2_1 O 0.3289(10) -0.0313(15) 0.1398(10) 0.099(3) Uani 0.358(5) 1 d D U P A 1
H2_1 H 0.368610 -0.107037 0.146095 0.15(3) Uiso 0.358(5) 1 calc R . P A 1
C22_2 C 0.4761(9) 0.2850(17) 0.3857(7) 0.092(4) Uani 0.642(5) 1 d . . P A 2
H22_2 H 0.513737 0.249922 0.360144 0.111 Uiso 0.642(5) 1 calc R U P A 2
O3_2 O 0.47716(16) 0.4372(4) 0.40426(15) 0.0971(9) Uani 0.642(5) 1 d . . P A 2
O1_2 O 0.3547(5) -0.0341(8) 0.1619(6) 0.0929(18) Uani 0.642(5) 1 d D U P A 2
O2_2 O 0.4372(5) 0.1702(18) 0.1373(6) 0.0919(19) Uani 0.642(5) 1 d D U P A 2
H2_2 H 0.464475 0.084861 0.130094 0.126(14) Uiso 0.642(5) 1 calc R . P A 2
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
C22_1 N1 C24 121.1(6) . . ?
C22_2 N1 C24 121.2(6) . . ?
C22_1 N1 C23 121.5(6) . . ?
C22_2 N1 C23 121.4(6) . . ?
C24 N1 C23 117.32(17) . . ?
O1_1 C1 O2_1 128.7(14) . . ?
O1_2 C1 O2_2 121.2(7) . . ?
O1_2 C1 C2 122.0(4) . . ?
O1_1 C1 C2 116.0(12) . . ?
O2_1 C1 C2 115.3(7) . . ?
O2_2 C1 C2 116.8(7) . . ?
C7 C2 C3 118.73(12) . . ?
C7 C2 C1 121.17(13) . . ?
C3 C2 C1 120.10(14) . . ?
C4 C3 C2 120.89(13) . . ?
C4 C3 H3 119.6 . . ?
C2 C3 H3 119.6 . . ?
C3 C4 C5 120.74(13) . . ?
C3 C4 H4A 119.6 . . ?
C5 C4 H4A 119.6 . . ?
C21 C8 C9 120.70(12) . . ?
C21 C8 C5 120.31(12) . . ?
C9 C8 C5 118.99(11) . . ?
C2 C7 C6 120.54(13) . . ?
C2 C7 H7 119.7 . . ?
C6 C7 H7 119.7 . . ?
C7 C6 C5 120.74(13) . . ?
C7 C6 H6 119.6 . . ?
C5 C6 H6 119.6 . . ?
C12 C13 C14 121.99(15) . . ?
C12 C13 H13 119.0 . . ?
C14 C13 H13 119.0 . . ?
C11 C10 C9 121.56(14) . . ?
C11 C10 H10 119.2 . . ?
C9 C10 H10 119.2 . . ?
C10 C11 C12 120.75(16) . . ?
C10 C11 H11 119.6 . . ?
C12 C11 H11 119.6 . . ?
C13 C12 C11 119.90(16) . . ?
C13 C12 H12 120.1 . . ?
C11 C12 H12 120.1 . . ?
C15 C14 C13 122.50(13) . . ?
C15 C14 C9 119.26(14) . . ?
C13 C14 C9 118.23(14) . . ?
C4 C5 C6 118.34(12) . . ?
C4 C5 C8 120.27(11) . . ?
C6 C5 C8 121.37(12) . . ?
C14 C15 C16 122.16(13) . . ?
C14 C15 H15 118.9 . . ?
C16 C15 H15 118.9 . . ?
C8 C9 C10 123.24(12) . . ?
C8 C9 C14 119.22(12) . . ?
C10 C9 C14 117.54(13) . . ?
C8 C21 C20 122.50(13) . . ?
C8 C21 C16 119.51(13) . . ?
C20 C21 C16 117.97(13) . . ?
C19 C20 C21 120.97(16) . . ?
C19 C20 H20 119.5 . . ?
C21 C20 H20 119.5 . . ?
C18 C17 C16 121.25(17) . . ?
C18 C17 H17 119.4 . . ?
C16 C17 H17 119.4 . . ?
C15 C16 C17 122.34(15) . . ?
C15 C16 C21 119.14(13) . . ?
C17 C16 C21 118.50(16) . . ?
N1 C23 H23A 109.5 . . ?
N1 C23 H23B 109.5 . . ?
H23A C23 H23B 109.5 . . ?
N1 C23 H23C 109.5 . . ?
H23A C23 H23C 109.5 . . ?
H23B C23 H23C 109.5 . . ?
N1 C24 H24A 109.5 . . ?
N1 C24 H24B 109.5 . . ?
H24A C24 H24B 109.5 . . ?
N1 C24 H24C 109.5 . . ?
H24A C24 H24C 109.5 . . ?
H24B C24 H24C 109.5 . . ?
C20 C19 C18 120.67(18) . . ?
C20 C19 H19 119.7 . . ?
C18 C19 H19 119.7 . . ?
C17 C18 C19 120.60(16) . . ?
C17 C18 H18 119.7 . . ?
C19 C18 H18 119.7 . . ?
N1 C22_1 O3_1 123.8(11) . . ?
N1 C22_1 H22_1 118.1 . . ?
O3_1 C22_1 H22_1 118.1 . . ?
C1 O2_1 H2_1 109.5 . . ?
O3_2 C22_2 N1 122.3(12) . . ?
O3_2 C22_2 H22_2 118.8 . . ?
N1 C22_2 H22_2 118.8 . . ?
C1 O2_2 H2_2 109.5 . . ?
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
N1 C22_1 1.264(18) . ?
N1 C22_2 1.343(13) . ?
N1 C24 1.444(3) . ?
N1 C23 1.444(3) . ?
C1 O1_2 1.213(6) . ?
C1 O1_1 1.214(8) . ?
C1 O2_1 1.296(8) . ?
C1 O2_2 1.299(7) . ?
C1 C2 1.495(2) . ?
C2 C7 1.377(2) . ?
C2 C3 1.381(2) . ?
C3 C4 1.3777(19) . ?
C3 H3 0.9300 . ?
C4 C5 1.3804(19) . ?
C4 H4A 0.9300 . ?
C8 C21 1.4014(19) . ?
C8 C9 1.4068(19) . ?
C8 C5 1.4985(17) . ?
C7 C6 1.383(2) . ?
C7 H7 0.9300 . ?
C6 C5 1.3880(19) . ?
C6 H6 0.9300 . ?
C13 C12 1.341(3) . ?
C13 C14 1.425(2) . ?
C13 H13 0.9300 . ?
C10 C11 1.355(2) . ?
C10 C9 1.422(2) . ?
C10 H10 0.9300 . ?
C11 C12 1.408(2) . ?
C11 H11 0.9300 . ?
C12 H12 0.9300 . ?
C14 C15 1.384(2) . ?
C14 C9 1.4381(18) . ?
C15 C16 1.388(2) . ?
C15 H15 0.9300 . ?
C21 C20 1.423(2) . ?
C21 C16 1.435(2) . ?
C20 C19 1.359(2) . ?
C20 H20 0.9300 . ?
C17 C18 1.344(3) . ?
C17 C16 1.424(2) . ?
C17 H17 0.9300 . ?
C23 H23A 0.9600 . ?
C23 H23B 0.9600 . ?
C23 H23C 0.9600 . ?
C24 H24A 0.9600 . ?
C24 H24B 0.9600 . ?
C24 H24C 0.9600 . ?
C19 C18 1.404(3) . ?
C19 H19 0.9300 . ?
C18 H18 0.9300 . ?
C22_1 O3_1 1.292(17) . ?
C22_1 H22_1 0.9300 . ?
O2_1 H2_1 0.8200 . ?
C22_2 O3_2 1.216(12) . ?
C22_2 H22_2 0.9300 . ?
O2_2 H2_2 0.8200 . ?
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
O1_2 C1 C2 C7 -8.6(6) . . . . ?
O1_1 C1 C2 C7 -166.6(9) . . . . ?
O2_1 C1 C2 C7 12.4(9) . . . . ?
O2_2 C1 C2 C7 173.5(5) . . . . ?
O1_2 C1 C2 C3 171.8(5) . . . . ?
O1_1 C1 C2 C3 13.8(10) . . . . ?
O2_1 C1 C2 C3 -167.2(9) . . . . ?
O2_2 C1 C2 C3 -6.2(5) . . . . ?
C7 C2 C3 C4 -0.8(2) . . . . ?
C1 C2 C3 C4 178.84(15) . . . . ?
C2 C3 C4 C5 0.1(3) . . . . ?
C3 C2 C7 C6 0.5(2) . . . . ?
C1 C2 C7 C6 -179.13(14) . . . . ?
C2 C7 C6 C5 0.5(2) . . . . ?
C9 C10 C11 C12 -0.1(2) . . . . ?
C14 C13 C12 C11 -1.3(3) . . . . ?
C10 C11 C12 C13 1.5(3) . . . . ?
C12 C13 C14 C15 -179.15(16) . . . . ?
C12 C13 C14 C9 -0.2(2) . . . . ?
C3 C4 C5 C6 0.8(2) . . . . ?
C3 C4 C5 C8 -177.95(14) . . . . ?
C7 C6 C5 C4 -1.1(2) . . . . ?
C7 C6 C5 C8 177.64(14) . . . . ?
C21 C8 C5 C4 -89.61(16) . . . . ?
C9 C8 C5 C4 91.19(17) . . . . ?
C21 C8 C5 C6 91.67(17) . . . . ?
C9 C8 C5 C6 -87.53(16) . . . . ?
C13 C14 C15 C16 177.93(14) . . . . ?
C9 C14 C15 C16 -1.0(2) . . . . ?
C21 C8 C9 C10 179.85(12) . . . . ?
C5 C8 C9 C10 -0.95(19) . . . . ?
C21 C8 C9 C14 -0.65(18) . . . . ?
C5 C8 C9 C14 178.56(11) . . . . ?
C11 C10 C9 C8 178.06(13) . . . . ?
C11 C10 C9 C14 -1.5(2) . . . . ?
C15 C14 C9 C8 1.02(19) . . . . ?
C13 C14 C9 C8 -177.94(12) . . . . ?
C15 C14 C9 C10 -179.45(12) . . . . ?
C13 C14 C9 C10 1.59(19) . . . . ?
C9 C8 C21 C20 178.86(12) . . . . ?
C5 C8 C21 C20 -0.33(19) . . . . ?
C9 C8 C21 C16 0.22(18) . . . . ?
C5 C8 C21 C16 -178.98(11) . . . . ?
C8 C21 C20 C19 -177.06(14) . . . . ?
C16 C21 C20 C19 1.6(2) . . . . ?
C14 C15 C16 C17 -177.71(13) . . . . ?
C14 C15 C16 C21 0.6(2) . . . . ?
C18 C17 C16 C15 177.34(15) . . . . ?
C18 C17 C16 C21 -0.9(2) . . . . ?
C8 C21 C16 C15 -0.16(19) . . . . ?
C20 C21 C16 C15 -178.86(12) . . . . ?
C8 C21 C16 C17 178.18(12) . . . . ?
C20 C21 C16 C17 -0.53(19) . . . . ?
C21 C20 C19 C18 -1.3(2) . . . . ?
C16 C17 C18 C19 1.4(3) . . . . ?
C20 C19 C18 C17 -0.3(3) . . . . ?
C24 N1 C22_1 O3_1 168.9(9) . . . . ?
C23 N1 C22_1 O3_1 -15.2(18) . . . . ?
C24 N1 C22_2 O3_2 -2.8(13) . . . . ?
C23 N1 C22_2 O3_2 173.2(7) . . . . ?
