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#$Date: 2020-10-07 01:56:00 +0300 (Wed, 07 Oct 2020) $
#$Revision: 258191 $
#$URL: file:///home/coder/svn-repositories/cod/cif/4/03/84/4038400.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_4038400
loop_
_publ_author_name
'Matsumura, Mio'
'Takahashi, Tsutomu'
'Yamauchi, Hikari'
'Sakuma, Shunsuke'
'Hayashi, Yukako'
'Hyodo, Tadashi'
'Obata, Tohru'
'Yamaguchi, Kentaro'
'Fujiwara, Yasuyuki'
'Yasuike, Shuji'
_publ_section_title
;
 Synthesis and anticancer activity of
 bis(2-arylimidazo[1,2-a]pyridin-3-yl) selenides and diselenides: the
 copper-catalyzed tandem C--H selenation of 2-arylimidazo[1,2-a]pyridine
 with selenium
;
_journal_name_full               'Beilstein Journal of Organic Chemistry'
_journal_page_first              1075
_journal_page_last               1083
_journal_paper_doi               10.3762/bjoc.16.94
_journal_volume                  16
_journal_year                    2020
_chemical_formula_sum            'C26 H18 N4 Se2'
_chemical_formula_weight         544.36
_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
_audit_creation_method           SHELXL-2014/7
_cell_angle_alpha                109.173(3)
_cell_angle_beta                 110.356(3)
_cell_angle_gamma                94.319(3)
_cell_formula_units_Z            2
_cell_length_a                   9.851(3)
_cell_length_b                   9.897(3)
_cell_length_c                   12.535(4)
_cell_measurement_reflns_used    200
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      26.82
_cell_measurement_theta_min      2.21
_cell_volume                     1057.1(6)
_computing_cell_refinement       'SAINT (Bruker AXS, 2004)'
_computing_data_collection       'APEX2 (Bruker AXS, 2006)'
_computing_data_reduction        'SAINT (Bruker AXS, 2004)'
_computing_molecular_graphics    XP
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_structure_solution    'SHELXS-2014/7 (Sheldrick, 2014)'
_diffrn_ambient_temperature      100(2)
_diffrn_detector_area_resol_mean 8.333
_diffrn_measured_fraction_theta_full 0.946
_diffrn_measured_fraction_theta_max 0.850
_diffrn_measurement_device_type  'Bruker APEX II CCD area detector'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0238
_diffrn_reflns_av_unetI/netI     0.0307
_diffrn_reflns_Laue_measured_fraction_full 0.946
_diffrn_reflns_Laue_measured_fraction_max 0.850
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_k_min       -11
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_limit_l_min       -14
_diffrn_reflns_number            9422
_diffrn_reflns_point_group_measured_fraction_full 0.946
_diffrn_reflns_point_group_measured_fraction_max 0.850
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         26.458
_diffrn_reflns_theta_min         1.873
_diffrn_source                   'fine-focus sealed tube'
_exptl_absorpt_coefficient_mu    3.521
_exptl_absorpt_correction_T_max  0.6277
_exptl_absorpt_correction_T_min  0.5039
_exptl_absorpt_correction_type   numerical
_exptl_absorpt_process_details
;
 SADABS 2016/2: Krause, L., Herbst-Irmer, R., Sheldrick G.M. & Stalke D.,
 J. Appl. Cryst. 48 (2015) 3-10
;
_exptl_crystal_colour            red
_exptl_crystal_density_diffrn    1.710
_exptl_crystal_description       prismatic
_exptl_crystal_F_000             540
_exptl_crystal_size_max          0.313
_exptl_crystal_size_mid          0.306
_exptl_crystal_size_min          0.152
_refine_diff_density_max         4.153
_refine_diff_density_min         -1.433
_refine_diff_density_rms         0.264
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.110
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     289
_refine_ls_number_reflns         3708
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.110
_refine_ls_R_factor_all          0.0821
_refine_ls_R_factor_gt           0.0787
_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)+(0.0822P)²+38.8890P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2577
_refine_ls_wR_factor_ref         0.2592
_reflns_Friedel_coverage         0.000
_reflns_number_gt                3349
_reflns_number_total             3708
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            1860-5397-16-94-S2.cif
_cod_data_source_block           p_1
_cod_depositor_comments
'Adding full bibliography for 4038400--4038401.cif.'
_cod_original_cell_volume        1057.2(6)
_cod_database_code               4038400
_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   0.405
_shelx_estimated_absorpt_t_max   0.617
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-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
Se1A Se 0.16389(13) 0.37669(12) 0.36216(11) 0.0208(4) Uani 1 1 d . . . . .
C2A C 0.2757(12) 0.5625(12) 0.4083(10) 0.018(2) Uani 1 1 d . . . . .
N3A N 0.2331(10) 0.6932(10) 0.4644(9) 0.0176(19) Uani 1 1 d . . . . .
C4A C 0.1124(13) 0.7127(13) 0.4947(11) 0.022(2) Uani 1 1 d . . . . .
H4AA H 0.0391 0.6313 0.4769 0.026 Uiso 1 1 calc R U . . .
C5A C 0.1011(13) 0.8532(12) 0.5513(12) 0.023(2) Uani 1 1 d . . . . .
H5AA H 0.0186 0.8679 0.5730 0.028 Uiso 1 1 calc R U . . .
C6A C 0.2054(15) 0.9749(13) 0.5781(12) 0.028(3) Uani 1 1 d . . . . .
H6AA H 0.1939 1.0706 0.6178 0.033 Uiso 1 1 calc R U . . .
C7A C 0.3268(12) 0.9562(13) 0.5465(11) 0.021(2) Uani 1 1 d . . . . .
H7AA H 0.3985 1.0381 0.5629 0.026 Uiso 1 1 calc R U . . .
C8A C 0.3410(12) 0.8078(12) 0.4879(10) 0.018(2) Uani 1 1 d . . . . .
N9A N 0.4447(11) 0.7610(10) 0.4495(9) 0.021(2) Uani 1 1 d . . . . .
C10A C 0.4066(12) 0.6090(12) 0.3992(10) 0.019(2) Uani 1 1 d . . . . .
C11A C 0.4991(12) 0.5225(12) 0.3456(10) 0.017(2) Uani 1 1 d . . . . .
C12A C 0.6054(14) 0.5999(13) 0.3224(12) 0.026(3) Uani 1 1 d . . . . .
H12A H 0.6151 0.7021 0.3409 0.032 Uiso 1 1 calc R U . . .
C13A C 0.6967(14) 0.5222(15) 0.2714(13) 0.034(3) Uani 1 1 d . . . . .
H13A H 0.7685 0.5736 0.2559 0.041 Uiso 1 1 calc R U . . .
C14A C 0.6845(15) 0.3706(15) 0.2428(13) 0.033(3) Uani 1 1 d . . . . .
H14A H 0.7470 0.3202 0.2084 0.039 Uiso 1 1 calc R U . . .
C15A C 0.5810(14) 0.2971(14) 0.2655(11) 0.028(3) Uani 1 1 d . . . . .
H15A H 0.5712 0.1948 0.2467 0.033 Uiso 1 1 calc R U . . .
C16A C 0.4891(13) 0.3725(13) 0.3165(10) 0.022(2) Uani 1 1 d . . . . .
H16A H 0.4180 0.3196 0.3315 0.026 Uiso 1 1 calc R U . . .
Se1B Se 0.00532(12) 0.34044(13) 0.15659(11) 0.0223(4) Uani 1 1 d . . . . .
C2B C 0.1488(11) 0.3897(12) 0.1018(10) 0.017(2) Uani 1 1 d . . . . .
N3B N 0.2184(10) 0.2876(10) 0.0466(9) 0.0184(19) Uani 1 1 d . . . . .
C4B C 0.2047(13) 0.1384(12) 0.0229(11) 0.023(2) Uani 1 1 d . . . . .
H4BA H 0.1391 0.0901 0.0459 0.027 Uiso 1 1 calc R U . . .
C5B C 0.2879(14) 0.0615(13) -0.0345(12) 0.027(3) Uani 1 1 d . . . . .
H5BA H 0.2789 -0.0404 -0.0517 0.032 Uiso 1 1 calc R U . . .
C6B C 0.3892(14) 0.1360(15) -0.0686(12) 0.031(3) Uani 1 1 d . . . . .
H6BA H 0.4467 0.0836 -0.1078 0.037 Uiso 1 1 calc R U . . .
C7B C 0.4001(13) 0.2807(12) -0.0436(11) 0.020(2) Uani 1 1 d . . . . .
H7BA H 0.4659 0.3303 -0.0656 0.024 Uiso 1 1 calc R U . . .
C8B C 0.3142(12) 0.3607(12) 0.0156(10) 0.017(2) Uani 1 1 d . . . . .
N9B N 0.3098(10) 0.5054(10) 0.0498(9) 0.0182(19) Uani 1 1 d . . . . .
C10B C 0.2084(12) 0.5236(13) 0.1035(10) 0.019(2) Uani 1 1 d . . . . .
C11B C 0.1817(12) 0.6733(12) 0.1565(10) 0.018(2) Uani 1 1 d . . . . .
C12B C 0.2905(13) 0.7948(13) 0.1828(12) 0.024(3) Uani 1 1 d . . . . .
H12B H 0.3758 0.7784 0.1656 0.028 Uiso 1 1 calc R U . . .
C13B C 0.2751(15) 0.9384(14) 0.2336(13) 0.031(3) Uani 1 1 d . . . . .
H13B H 0.3508 1.0181 0.2523 0.037 Uiso 1 1 calc R U . . .
C14B C 0.1463(16) 0.9660(15) 0.2574(12) 0.032(3) Uani 1 1 d . . . . .
H14B H 0.1336 1.0631 0.2902 0.038 Uiso 1 1 calc R U . . .
C15B C 0.0402(15) 0.8459(14) 0.2311(12) 0.029(3) Uani 1 1 d . . . . .
H15B H -0.0458 0.8613 0.2474 0.034 Uiso 1 1 calc R U . . .
C16B C 0.0576(13) 0.7025(13) 0.1811(10) 0.022(2) Uani 1 1 d . . . . .
H16B H -0.0177 0.6230 0.1634 0.026 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'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Se Se -0.0929 2.2259 '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
C2A Se1A Se1B 99.0(3) . . ?
C10A C2A N3A 105.4(9) . . ?
C10A C2A Se1A 132.4(9) . . ?
N3A C2A Se1A 122.2(8) . . ?
C4A N3A C8A 122.8(10) . . ?
C4A N3A C2A 130.6(10) . . ?
C8A N3A C2A 106.6(9) . . ?
C5A C4A N3A 118.0(10) . . ?
C5A C4A H4AA 121.0 . . ?
N3A C4A H4AA 121.0 . . ?
C4A C5A C6A 122.7(11) . . ?
C4A C5A H5AA 118.7 . . ?
C6A C5A H5AA 118.7 . . ?
C7A C6A C5A 119.7(11) . . ?
C7A C6A H6AA 120.2 . . ?
C5A C6A H6AA 120.2 . . ?
C6A C7A C8A 118.1(10) . . ?
C6A C7A H7AA 120.9 . . ?
C8A C7A H7AA 120.9 . . ?
N9A C8A N3A 111.4(10) . . ?
N9A C8A C7A 129.9(10) . . ?
N3A C8A C7A 118.7(10) . . ?
C8A N9A C10A 107.3(9) . . ?
C2A C10A N9A 109.4(10) . . ?
C2A C10A C11A 129.8(10) . . ?
N9A C10A C11A 120.8(10) . . ?
C16A C11A C12A 118.4(11) . . ?
C16A C11A C10A 125.1(10) . . ?
C12A C11A C10A 116.5(10) . . ?
C13A C12A C11A 118.7(11) . . ?
C13A C12A H12A 120.7 . . ?
C11A C12A H12A 120.7 . . ?
C14A C13A C12A 121.9(12) . . ?
C14A C13A H13A 119.0 . . ?
C12A C13A H13A 119.0 . . ?
C15A C14A C13A 118.7(12) . . ?
C15A C14A H14A 120.6 . . ?
C13A C14A H14A 120.6 . . ?
C14A C15A C16A 120.3(12) . . ?
C14A C15A H15A 119.9 . . ?
C16A C15A H15A 119.9 . . ?
C11A C16A C15A 122.0(11) . . ?
C11A C16A H16A 119.0 . . ?
C15A C16A H16A 119.0 . . ?
C2B Se1B Se1A 99.1(3) . . ?
C10B C2B N3B 105.8(9) . . ?
C10B C2B Se1B 131.2(9) . . ?
N3B C2B Se1B 123.0(8) . . ?
C8B N3B C4B 121.6(10) . . ?
C8B N3B C2B 107.3(9) . . ?
C4B N3B C2B 131.0(10) . . ?
C5B C4B N3B 119.1(11) . . ?
C5B C4B H4BA 120.4 . . ?
N3B C4B H4BA 120.4 . . ?
C4B C5B C6B 120.3(11) . . ?
C4B C5B H5BA 119.8 . . ?
C6B C5B H5BA 119.9 . . ?
C7B C6B C5B 118.9(12) . . ?
C7B C6B H6BA 120.5 . . ?
C5B C6B H6BA 120.5 . . ?
C6B C7B C8B 121.0(11) . . ?
C6B C7B H7BA 119.5 . . ?
C8B C7B H7BA 119.5 . . ?
N9B C8B N3B 110.7(9) . . ?
N9B C8B C7B 130.3(10) . . ?
N3B C8B C7B 119.0(9) . . ?
C8B N9B C10B 106.0(9) . . ?
N9B C10B C2B 110.2(10) . . ?
N9B C10B C11B 119.6(10) . . ?
C2B C10B C11B 130.2(10) . . ?
C16B C11B C12B 117.3(11) . . ?
C16B C11B C10B 125.1(10) . . ?
C12B C11B C10B 117.7(10) . . ?
C13B C12B C11B 121.4(11) . . ?
C13B C12B H12B 119.3 . . ?
C11B C12B H12B 119.3 . . ?
C14B C13B C12B 120.4(12) . . ?
C14B C13B H13B 119.8 . . ?
C12B C13B H13B 119.8 . . ?
C15B C14B C13B 117.7(12) . . ?
C15B C14B H14B 121.2 . . ?
C13B C14B H14B 121.2 . . ?
C14B C15B C16B 121.3(12) . . ?
C14B C15B H15B 119.4 . . ?
C16B C15B H15B 119.4 . . ?
C15B C16B C11B 122.0(11) . . ?
C15B C16B H16B 119.0 . . ?
C11B C16B H16B 119.0 . . ?
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
Se1A C2A 1.866(11) . ?
Se1A Se1B 2.3910(18) . ?
C2A C10A 1.391(16) . ?
C2A N3A 1.426(14) . ?
N3A C4A 1.377(14) . ?
N3A C8A 1.373(14) . ?
C4A C5A 1.371(16) . ?
C4A H4AA 0.9500 . ?
C5A C6A 1.388(17) . ?
C5A H5AA 0.9500 . ?
C6A C7A 1.391(17) . ?
C6A H6AA 0.9500 . ?
C7A C8A 1.452(16) . ?
C7A H7AA 0.9500 . ?
C8A N9A 1.327(15) . ?
N9A C10A 1.388(15) . ?
C10A C11A 1.477(16) . ?
C11A C16A 1.394(16) . ?
C11A C12A 1.415(16) . ?
C12A C13A 1.411(18) . ?
C12A H12A 0.9500 . ?
C13A C14A 1.41(2) . ?
C13A H13A 0.9500 . ?
C14A C15A 1.370(19) . ?
C14A H14A 0.9500 . ?
C15A C16A 1.405(17) . ?
C15A H15A 0.9500 . ?
C16A H16A 0.9500 . ?
Se1B C2B 1.871(11) . ?
C2B C10B 1.399(16) . ?
C2B N3B 1.395(14) . ?
N3B C8B 1.379(14) . ?
N3B C4B 1.393(14) . ?
C4B C5B 1.383(18) . ?
C4B H4BA 0.9500 . ?
C5B C6B 1.454(18) . ?
C5B H5BA 0.9500 . ?
C6B C7B 1.349(18) . ?
C6B H6BA 0.9500 . ?
C7B C8B 1.430(16) . ?
C7B H7BA 0.9500 . ?
C8B N9B 1.362(14) . ?
N9B C10B 1.378(15) . ?
C10B C11B 1.496(16) . ?
C11B C16B 1.389(16) . ?
C11B C12B 1.415(16) . ?
C12B C13B 1.398(17) . ?
C12B H12B 0.9500 . ?
C13B C14B 1.427(19) . ?
C13B H13B 0.9500 . ?
C14B C15B 1.39(2) . ?
C14B H14B 0.9500 . ?
C15B C16B 1.401(17) . ?
C15B H15B 0.9500 . ?
C16B H16B 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
Se1B Se1A C2A C10A -89.4(11) . . . . ?
Se1B Se1A C2A N3A 90.2(9) . . . . ?
C10A C2A N3A C4A 179.5(11) . . . . ?
Se1A C2A N3A C4A -0.2(17) . . . . ?
C10A C2A N3A C8A -1.5(12) . . . . ?
Se1A C2A N3A C8A 178.8(8) . . . . ?
C8A N3A C4A C5A -0.3(17) . . . . ?
C2A N3A C4A C5A 178.5(11) . . . . ?
N3A C4A C5A C6A 0.4(19) . . . . ?
C4A C5A C6A C7A 0.3(19) . . . . ?
C5A C6A C7A C8A -1.1(18) . . . . ?
C4A N3A C8A N9A -179.6(10) . . . . ?
C2A N3A C8A N9A 1.4(12) . . . . ?
C4A N3A C8A C7A -0.4(16) . . . . ?
C2A N3A C8A C7A -179.5(10) . . . . ?
C6A C7A C8A N9A -179.9(12) . . . . ?
C6A C7A C8A N3A 1.1(16) . . . . ?
N3A C8A N9A C10A -0.6(13) . . . . ?
C7A C8A N9A C10A -179.6(11) . . . . ?
N3A C2A C10A N9A 1.2(12) . . . . ?
Se1A C2A C10A N9A -179.2(9) . . . . ?
N3A C2A C10A C11A -178.0(10) . . . . ?
Se1A C2A C10A C11A 1.6(19) . . . . ?
C8A N9A C10A C2A -0.4(13) . . . . ?
C8A N9A C10A C11A 178.9(10) . . . . ?
C2A C10A C11A C16A -14.9(19) . . . . ?
N9A C10A C11A C16A 166.0(11) . . . . ?
C2A C10A C11A C12A 165.0(12) . . . . ?
N9A C10A C11A C12A -14.1(15) . . . . ?
C16A C11A C12A C13A -0.2(18) . . . . ?
C10A C11A C12A C13A 179.9(11) . . . . ?
C11A C12A C13A C14A 0(2) . . . . ?
C12A C13A C14A C15A 0(2) . . . . ?
C13A C14A C15A C16A 0.0(19) . . . . ?
C12A C11A C16A C15A 0.1(17) . . . . ?
C10A C11A C16A C15A 180.0(11) . . . . ?
C14A C15A C16A C11A 0.0(18) . . . . ?
Se1A Se1B C2B C10B -90.9(11) . . . . ?
Se1A Se1B C2B N3B 89.8(9) . . . . ?
C10B C2B N3B C8B -0.8(12) . . . . ?
Se1B C2B N3B C8B 178.6(8) . . . . ?
C10B C2B N3B C4B 178.6(11) . . . . ?
Se1B C2B N3B C4B -1.9(17) . . . . ?
C8B N3B C4B C5B -0.8(17) . . . . ?
C2B N3B C4B C5B 179.8(11) . . . . ?
N3B C4B C5B C6B 0.5(18) . . . . ?
C4B C5B C6B C7B -0.2(19) . . . . ?
C5B C6B C7B C8B 0.1(19) . . . . ?
C4B N3B C8B N9B -178.9(10) . . . . ?
C2B N3B C8B N9B 0.6(12) . . . . ?
C4B N3B C8B C7B 0.8(16) . . . . ?
C2B N3B C8B C7B -179.7(10) . . . . ?
C6B C7B C8B N9B 179.2(12) . . . . ?
C6B C7B C8B N3B -0.4(17) . . . . ?
N3B C8B N9B C10B -0.1(12) . . . . ?
C7B C8B N9B C10B -179.7(11) . . . . ?
C8B N9B C10B C2B -0.4(12) . . . . ?
C8B N9B C10B C11B 177.4(9) . . . . ?
N3B C2B C10B N9B 0.8(12) . . . . ?
Se1B C2B C10B N9B -178.6(8) . . . . ?
N3B C2B C10B C11B -176.8(10) . . . . ?
Se1B C2B C10B C11B 3.8(19) . . . . ?
N9B C10B C11B C16B 160.9(11) . . . . ?
C2B C10B C11B C16B -21.7(19) . . . . ?
N9B C10B C11B C12B -18.5(15) . . . . ?
C2B C10B C11B C12B 158.8(12) . . . . ?
C16B C11B C12B C13B 1.2(17) . . . . ?
C10B C11B C12B C13B -179.3(11) . . . . ?
C11B C12B C13B C14B -2(2) . . . . ?
C12B C13B C14B C15B 1.4(19) . . . . ?
C13B C14B C15B C16B -1.0(19) . . . . ?
C14B C15B C16B C11B 0.7(19) . . . . ?
C12B C11B C16B C15B -0.7(17) . . . . ?
C10B C11B C16B C15B 179.9(11) . . . . ?
