#------------------------------------------------------------------------------
#$Date: 2025-07-06 19:39:12 +0200 (Sun 06 de Jul de 2025) $
#$Revision: 301072 $
#$URL: svn://www.crystallography.net/cod/cif/7/06/37/7063753.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_7063753
loop_
_publ_author_name
'Tolstikov, Svyatoslav E.'
'Kolesnikov, Andrey E.'
'Smirnova, Kristina A.'
'Letyagin, Gleb A.'
'Bogomyakov, Artem S.'
'Romanenko, Galina V.'
'Ovcharenko, Victor I.'
_publ_section_title
;
 Heterospin molecular complexes of Cu(hfac)2 with pyridyl-substituted
 nitronyl nitroxides: peculiarities of structure and magnetic properties
;
_journal_issue                   18
_journal_name_full               'New Journal of Chemistry'
_journal_page_first              7655
_journal_page_last               7660
_journal_paper_doi               10.1039/D5NJ00967G
_journal_volume                  49
_journal_year                    2025
_chemical_formula_sum            'C24 H22 Cu F12 N3 O7'
_chemical_formula_weight         755.98
_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_block_doi                 10.5517/ccdc.csd.cc2bjc5f
_audit_creation_method           SHELXL-2018/3
_audit_update_record
;
2022-03-22 deposited with the CCDC.	2025-04-09 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 101.305(2)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   14.2166(6)
_cell_length_b                   18.8967(7)
_cell_length_c                   11.7669(5)
_cell_measurement_reflns_used    4197
_cell_measurement_temperature    296(2)
_cell_measurement_theta_max      23.33
_cell_measurement_theta_min      2.32
_cell_volume                     3099.8(2)
_computing_cell_refinement       'Bruker SAINT'
_computing_data_collection       'Bruker APEX2'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-2018/3 (Sheldrick, 2018)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      296(2)
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.994
_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  0.0730
_diffrn_reflns_av_unetI/netI     0.1097
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.994
_diffrn_reflns_limit_h_max       16
_diffrn_reflns_limit_h_min       -18
_diffrn_reflns_limit_k_max       25
_diffrn_reflns_limit_k_min       -23
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_limit_l_min       -15
_diffrn_reflns_number            29676
_diffrn_reflns_point_group_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.994
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         28.293
_diffrn_reflns_theta_min         1.815
_exptl_absorpt_coefficient_mu    0.823
_exptl_absorpt_correction_T_max  0.3031
_exptl_absorpt_correction_T_min  0.2634
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   sadabs
_exptl_crystal_colour            green_brown
_exptl_crystal_density_diffrn    1.620
_exptl_crystal_description       block
_exptl_crystal_F_000             1520
_exptl_crystal_size_max          0.28
_exptl_crystal_size_mid          0.18
_exptl_crystal_size_min          0.12
_refine_diff_density_max         0.394
_refine_diff_density_min         -0.506
_refine_diff_density_rms         0.055
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.799
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     505
_refine_ls_number_reflns         7649
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.799
_refine_ls_R_factor_all          0.1256
_refine_ls_R_factor_gt           0.0423
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0361P)²] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0764
_refine_ls_wR_factor_ref         0.0927
_reflns_Friedel_coverage         0.000
_reflns_number_gt                3340
_reflns_number_total             7649
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d5nj00967g2.cif
_cod_data_source_block           090s
_cod_depositor_comments
'Adding full bibliography for 7063753--7063771.cif.'
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               7063753
_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. 
;
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
Cu Cu 0.29817(2) 0.49661(2) 0.42235(3) 0.04301(12) Uani 1 1 d . . . . .
O1 O 0.24255(14) 0.41289(10) 0.33103(17) 0.0638(6) Uani 1 1 d . . . . .
C1 C 0.1362(4) 0.3334(2) 0.2243(5) 0.0813(11) Uani 1 1 d . . . . .
F1 F 0.166(2) 0.3090(6) 0.1335(19) 0.155(6) Uani 0.5 1 d . . P A 1
F2 F 0.0436(7) 0.3242(6) 0.194(2) 0.141(6) Uani 0.5 1 d . . P A 1
F3 F 0.162(2) 0.2873(6) 0.3097(15) 0.195(10) Uani 0.5 1 d . . P A 1
F1A F 0.0795(19) 0.3265(5) 0.1270(14) 0.153(5) Uani 0.5 1 d . . P A 2
F2A F 0.0937(15) 0.3080(6) 0.2982(15) 0.129(4) Uani 0.5 1 d . . P A 2
F3A F 0.2092(7) 0.2946(7) 0.224(2) 0.126(4) Uani 0.5 1 d . . P A 2
C2 C 0.1658(2) 0.40892(18) 0.2564(3) 0.0552(8) Uani 1 1 d . . . . .
C3 C 0.1098(2) 0.46249(19) 0.2028(2) 0.0613(9) Uani 1 1 d . . . . .
H3A H 0.054870 0.450492 0.149269 0.074 Uiso 1 1 calc R U . . .
C4 C 0.1296(2) 0.53390(18) 0.2233(2) 0.0501(8) Uani 1 1 d . . . . .
C5 C 0.0703(3) 0.5874(2) 0.1419(3) 0.0740(10) Uani 1 1 d . . . . .
F4 F 0.1117(2) 0.60217(17) 0.0563(2) 0.1718(13) Uani 1 1 d . . . . .
F5 F -0.01688(16) 0.56529(12) 0.09550(18) 0.1205(8) Uani 1 1 d . . . . .
F6 F 0.05685(16) 0.64648(12) 0.1935(2) 0.1110(8) Uani 1 1 d . . . . .
O2 O 0.19338(13) 0.56087(10) 0.29658(15) 0.0575(5) Uani 1 1 d . . . . .
O3 O 0.21441(13) 0.47613(10) 0.53278(17) 0.0571(5) Uani 1 1 d . . . . .
C6 C 0.0991(4) 0.4061(3) 0.5912(7) 0.0920(16) Uani 1 1 d . . . . .
F7 F 0.0387(6) 0.4178(6) 0.4821(10) 0.122(4) Uani 0.5 1 d . . P B 1
F8 F 0.0750(7) 0.3416(3) 0.6129(10) 0.090(3) Uani 0.5 1 d . . P B 1
F9 F 0.0771(12) 0.4472(8) 0.6675(18) 0.157(7) Uani 0.5 1 d . . P B 1
F7A F 0.1045(10) 0.3663(13) 0.6886(16) 0.268(9) Uani 0.5 1 d . . P B 2
F8A F 0.0560(11) 0.3680(14) 0.530(2) 0.298(14) Uani 0.5 1 d . . P B 2
F9A F 0.0563(9) 0.4578(8) 0.6125(16) 0.136(7) Uani 0.5 1 d . . P B 2
C7 C 0.2013(2) 0.41518(17) 0.5715(3) 0.0559(8) Uani 1 1 d . . . . .
C8 C 0.2634(2) 0.35936(16) 0.5928(3) 0.0617(9) Uani 1 1 d . . . . .
H8A H 0.242908 0.318063 0.623491 0.074 Uiso 1 1 calc R U . . .
C9 C 0.3566(2) 0.36176(16) 0.5705(2) 0.0530(8) Uani 1 1 d . . . . .
C10 C 0.4151(4) 0.2930(2) 0.5881(5) 0.0819(12) Uani 1 1 d . . . . .
F10 F 0.5011(8) 0.3007(7) 0.5817(17) 0.129(7) Uani 0.5 1 d . . P C 1
F11 F 0.3741(8) 0.2424(6) 0.5372(13) 0.118(4) Uani 0.5 1 d . . P C 1
F12 F 0.4229(8) 0.2750(5) 0.7081(6) 0.113(3) Uani 0.5 1 d . . P C 1
F10A F 0.5004(9) 0.2998(8) 0.6352(18) 0.169(9) Uani 0.5 1 d . . P C 2
F11A F 0.4275(13) 0.2688(7) 0.4777(6) 0.156(3) Uani 0.5 1 d . . P C 2
F12A F 0.3785(10) 0.2406(6) 0.623(2) 0.166(7) Uani 0.5 1 d . . P C 2
O4 O 0.39664(13) 0.41249(10) 0.53592(15) 0.0541(5) Uani 1 1 d . . . . .
O1R O 0.35263(11) 0.58207(9) 0.50905(13) 0.0391(4) Uani 1 1 d . . . . .
N2R N 0.33224(14) 0.60190(11) 0.60723(17) 0.0384(5) Uani 1 1 d . . . . .
C3R C 0.26574(19) 0.66251(14) 0.6162(2) 0.0434(7) Uani 1 1 d . . . . .
C4R C 0.3236(2) 0.72906(15) 0.6033(2) 0.0653(9) Uani 1 1 d . . . . .
H4RA H 0.284841 0.770132 0.608265 0.098 Uiso 1 1 calc R U . . .
H4RB H 0.379566 0.730506 0.663952 0.098 Uiso 1 1 calc R U . . .
H4RC H 0.342662 0.728402 0.529408 0.098 Uiso 1 1 calc R U . . .
C5R C 0.17661(19) 0.65714(15) 0.5226(2) 0.0553(8) Uani 1 1 d . . . . .
H5RA H 0.134755 0.696133 0.529334 0.083 Uiso 1 1 calc R U . . .
H5RB H 0.194250 0.658409 0.447973 0.083 Uiso 1 1 calc R U . . .
H5RC H 0.144182 0.613465 0.531096 0.083 Uiso 1 1 calc R U . . .
C6R C 0.2488(2) 0.65088(16) 0.7415(2) 0.0527(8) Uani 1 1 d . . . . .
C7R C 0.2363(2) 0.71796(18) 0.8073(3) 0.0866(12) Uani 1 1 d . . . . .
H7RA H 0.176760 0.740178 0.772969 0.130 Uiso 1 1 calc R U . . .
H7RB H 0.235718 0.706513 0.886671 0.130 Uiso 1 1 calc R U . . .
H7RC H 0.288400 0.749705 0.804055 0.130 Uiso 1 1 calc R U . . .
C8R C 0.1706(2) 0.59841(18) 0.7505(3) 0.0769(10) Uani 1 1 d . . . . .
H8RA H 0.109281 0.618800 0.718373 0.115 Uiso 1 1 calc R U . . .
H8RB H 0.179654 0.556245 0.708465 0.115 Uiso 1 1 calc R U . . .
H8RC H 0.173013 0.586830 0.830485 0.115 Uiso 1 1 calc R U . . .
N9R N 0.34148(16) 0.61493(12) 0.79335(18) 0.0493(6) Uani 1 1 d . . . . .
O10R O 0.37594(15) 0.61468(12) 0.90092(15) 0.0727(7) Uani 1 1 d . . . . .
C11R C 0.37878(18) 0.58048(14) 0.7115(2) 0.0402(7) Uani 1 1 d . . . . .
C12R C 0.45781(18) 0.53030(14) 0.7313(2) 0.0387(7) Uani 1 1 d . . . . .
C13R C 0.53014(18) 0.53605(15) 0.6690(2) 0.0414(7) Uani 1 1 d . . . . .
H13A H 0.528269 0.573882 0.618079 0.050 Uiso 1 1 calc R U . . .
N14R N 0.60285(14) 0.49015(12) 0.67797(16) 0.0405(5) Uani 1 1 d . . . . .
C15R C 0.6046(2) 0.43704(15) 0.7539(2) 0.0504(7) Uani 1 1 d . . . . .
H15A H 0.654858 0.404773 0.761650 0.061 Uiso 1 1 calc R U . . .
C16R C 0.5369(2) 0.42743(15) 0.8208(2) 0.0520(8) Uani 1 1 d . . . . .
H16A H 0.542631 0.390423 0.873790 0.062 Uiso 1 1 calc R U . . .
C17R C 0.4595(2) 0.47348(15) 0.8085(2) 0.0452(7) Uani 1 1 d . . . . .
O18R O 0.38416(13) 0.46791(11) 0.85903(15) 0.0606(6) Uani 1 1 d . . . . .
C19R C 0.3806(2) 0.41125(18) 0.9398(3) 0.0766(10) Uani 1 1 d . . . . .
H19A H 0.437062 0.412031 1.001256 0.092 Uiso 1 1 calc R U . . .
H19B H 0.377513 0.365848 0.900774 0.092 Uiso 1 1 calc R U . . .
C20R C 0.2916(3) 0.4232(2) 0.9883(3) 0.1186(15) Uani 1 1 d . . . . .
H20A H 0.285967 0.386531 1.042999 0.178 Uiso 1 1 calc R U . . .
H20B H 0.295650 0.468342 1.026405 0.178 Uiso 1 1 calc R U . . .
H20C H 0.236417 0.422403 0.926455 0.178 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'
Cu Cu 0.3201 1.2651 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
F F 0.0171 0.0103 '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
O3 Cu O1R 92.65(7) . . ?
O3 Cu O1 88.41(8) . . ?
O1R Cu O1 178.19(7) . . ?
O3 Cu N14R 172.59(8) . 3_666 ?
O1R Cu N14R 87.34(7) . 3_666 ?
O1 Cu N14R 91.80(8) . 3_666 ?
O3 Cu O2 97.63(7) . . ?
O1R Cu O2 92.32(7) . . ?
O1 Cu O2 86.08(8) . . ?
N14R Cu O2 89.77(8) 3_666 . ?
O3 Cu O4 82.05(7) . . ?
O1R Cu O4 97.41(7) . . ?
O1 Cu O4 84.19(7) . . ?
N14R Cu O4 90.60(8) 3_666 . ?
O2 Cu O4 170.27(7) . . ?
C2 O1 Cu 128.4(2) . . ?
F2A C1 F3A 106.8(9) . . ?
F2A C1 F1A 106.2(9) . . ?
F3A C1 F1A 108.0(8) . . ?
F2 C1 F1 101.4(8) . . ?
F2 C1 F3 103.5(10) . . ?
F1 C1 F3 107.6(10) . . ?
F2A C1 C2 109.7(6) . . ?
F3A C1 C2 111.0(6) . . ?
F1A C1 C2 114.7(6) . . ?
F2 C1 C2 114.2(6) . . ?
F1 C1 C2 114.7(5) . . ?
F3 C1 C2 114.2(6) . . ?
O1 C2 C3 128.6(3) . . ?
O1 C2 C1 112.9(3) . . ?
C3 C2 C1 118.4(3) . . ?
C2 C3 C4 124.1(3) . . ?
O2 C4 C3 128.2(3) . . ?
O2 C4 C5 113.9(3) . . ?
C3 C4 C5 117.8(3) . . ?
F4 C5 F6 108.0(4) . . ?
F4 C5 F5 106.3(3) . . ?
F6 C5 F5 104.6(3) . . ?
F4 C5 C4 110.6(3) . . ?
F6 C5 C4 112.8(3) . . ?
F5 C5 C4 114.1(3) . . ?
C4 O2 Cu 122.7(2) . . ?
C7 O3 Cu 124.62(18) . . ?
F8A C6 F9A 115.1(15) . . ?
F9 C6 F8 108.8(9) . . ?
F8A C6 F7A 97.1(13) . . ?
F9A C6 F7A 102.8(12) . . ?
F9 C6 F7 110.9(11) . . ?
F8 C6 F7 100.8(9) . . ?
F8A C6 C7 113.1(8) . . ?
F9A C6 C7 118.4(9) . . ?
F9 C6 C7 114.3(8) . . ?
F8 C6 C7 115.4(5) . . ?
F7A C6 C7 107.0(7) . . ?
F7 C6 C7 105.7(6) . . ?
O3 C7 C8 129.3(3) . . ?
O3 C7 C6 111.7(3) . . ?
C8 C7 C6 119.0(3) . . ?
C7 C8 C9 122.7(3) . . ?
O4 C9 C8 127.3(3) . . ?
O4 C9 C10 115.6(3) . . ?
C8 C9 C10 117.1(3) . . ?
F12A C10 F10A 112.0(10) . . ?
F11 C10 F10 116.3(9) . . ?
F12A C10 F11A 100.7(9) . . ?
F10A C10 F11A 99.0(9) . . ?
F11 C10 F12 103.5(8) . . ?
F10 C10 F12 101.5(8) . . ?
F11 C10 C9 113.9(6) . . ?
F12A C10 C9 118.3(6) . . ?
F10A C10 C9 115.5(8) . . ?
F10 C10 C9 113.9(7) . . ?
F11A C10 C9 108.1(5) . . ?
F12 C10 C9 105.6(5) . . ?
C9 O4 Cu 116.99(18) . . ?
N2R O1R Cu 123.98(14) . . ?
O1R N2R C11R 124.9(2) . . ?
O1R N2R C3R 122.38(19) . . ?
C11R N2R C3R 111.8(2) . . ?
N2R C3R C5R 110.3(2) . . ?
N2R C3R C4R 105.2(2) . . ?
C5R C3R C4R 111.9(2) . . ?
N2R C3R C6R 100.1(2) . . ?
C5R C3R C6R 114.7(2) . . ?
C4R C3R C6R 113.4(2) . . ?
N9R C6R C8R 105.9(2) . . ?
N9R C6R C7R 110.7(2) . . ?
C8R C6R C7R 110.6(3) . . ?
N9R C6R C3R 99.4(2) . . ?
C8R C6R C3R 114.4(2) . . ?
C7R C6R C3R 115.0(3) . . ?
O10R N9R C11R 125.5(2) . . ?
O10R N9R C6R 123.1(2) . . ?
C11R N9R C6R 111.3(2) . . ?
N2R C11R N9R 108.4(2) . . ?
N2R C11R C12R 124.9(2) . . ?
N9R C11R C12R 126.7(2) . . ?
C13R C12R C17R 118.9(2) . . ?
C13R C12R C11R 119.8(2) . . ?
C17R C12R C11R 121.2(2) . . ?
N14R C13R C12R 123.5(2) . . ?
C13R N14R C15R 116.8(2) . . ?
C13R N14R Cu 119.30(18) . 3_666 ?
C15R N14R Cu 123.89(18) . 3_666 ?
N14R C15R C16R 124.0(3) . . ?
C15R C16R C17R 119.3(3) . . ?
O18R C17R C16R 126.6(3) . . ?
O18R C17R C12R 115.9(2) . . ?
C16R C17R C12R 117.4(3) . . ?
C17R O18R C19R 119.4(2) . . ?
O18R C19R C20R 106.3(3) . . ?
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
Cu O3 1.9654(18) . ?
Cu O1R 1.9845(17) . ?
Cu O1 1.987(2) . ?
Cu N14R 2.022(2) 3_666 ?
Cu O2 2.2404(18) . ?
Cu O4 2.3534(19) . ?
O1 C2 1.262(3) . ?
C1 F2A 1.248(11) . ?
C1 F3A 1.272(9) . ?
C1 F1A 1.272(9) . ?
C1 F2 1.307(11) . ?
C1 F1 1.308(9) . ?
C1 F3 1.326(12) . ?
C1 C2 1.514(5) . ?
C2 C3 1.363(4) . ?
C3 C4 1.390(4) . ?
C4 O2 1.233(3) . ?
C4 C5 1.527(4) . ?
C5 F4 1.292(4) . ?
C5 F6 1.303(4) . ?
C5 F5 1.321(4) . ?
O3 C7 1.266(3) . ?
C6 F8A 1.115(14) . ?
C6 F9A 1.203(14) . ?
C6 F9 1.272(15) . ?
C6 F8 1.305(10) . ?
C6 F7A 1.360(12) . ?
C6 F7 1.415(13) . ?
C6 C7 1.525(5) . ?
C7 C8 1.367(4) . ?
C8 C9 1.401(4) . ?
C9 O4 1.225(3) . ?
C9 C10 1.535(4) . ?
C10 F11 1.216(9) . ?
C10 F12A 1.229(10) . ?
C10 F10A 1.237(12) . ?
C10 F10 1.247(10) . ?
C10 F11A 1.421(8) . ?
C10 F12 1.435(9) . ?
O1R N2R 1.300(2) . ?
N2R C11R 1.338(3) . ?
N2R C3R 1.502(3) . ?
C3R C5R 1.511(3) . ?
C3R C4R 1.526(4) . ?
C3R C6R 1.555(3) . ?
C6R N9R 1.501(3) . ?
C6R C8R 1.509(4) . ?
C6R C7R 1.514(4) . ?
N9R O10R 1.265(2) . ?
N9R C11R 1.354(3) . ?
C11R C12R 1.454(3) . ?
C12R C13R 1.379(3) . ?
C12R C17R 1.404(3) . ?
C13R N14R 1.338(3) . ?
N14R C15R 1.341(3) . ?
C15R C16R 1.370(3) . ?
C16R C17R 1.387(3) . ?
C17R O18R 1.327(3) . ?
O18R C19R 1.439(3) . ?
C19R C20R 1.503(4) . ?
