#------------------------------------------------------------------------------
#$Date: 2022-09-21 18:44:46 +0300 (Wed, 21 Sep 2022) $
#$Revision: 278046 $
#$URL: file:///home/coder/svn-repositories/cod/cif/4/50/63/4506319.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_4506319
loop_
_publ_author_name
'Lin, Lang'
'Yu, Rongmin'
'Yang, Wenbin'
'Wu, Xiao-Yuan'
'Lu, Can-Zhong'
_publ_section_title
;
 A Series of Chiral Metal--Organic Frameworks Based on Oxalyl
 Retro-Peptides: Synthesis, Characterization, Dichroism Spectra, and Gas
 Adsorption
;
_journal_issue                   6
_journal_name_full               'Crystal Growth & Design'
_journal_page_first              3304
_journal_paper_doi               10.1021/cg300440t
_journal_volume                  12
_journal_year                    2012
_chemical_absolute_configuration ad
_chemical_formula_moiety         'C18 H22 Cu2 N6 O6, 2(O)'
_chemical_formula_sum            'C18 H22 Cu2 N6 O8'
_chemical_formula_weight         577.50
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           18
_space_group_name_Hall           'P 2 2ab'
_space_group_name_H-M_alt        'P 21 21 2'
_symmetry_space_group_name_Hall  'P 2 2ab'
_symmetry_space_group_name_H-M   'P 21 21 2'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   10.764(4)
_cell_length_b                   26.969(9)
_cell_length_c                   9.724(3)
_cell_measurement_temperature    293(2)
_cell_volume                     2822.8(17)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.993
_diffrn_measured_fraction_theta_max 0.993
_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  0.0377
_diffrn_reflns_av_sigmaI/netI    0.0373
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       35
_diffrn_reflns_limit_k_min       -34
_diffrn_reflns_limit_l_max       12
_diffrn_reflns_limit_l_min       -10
_diffrn_reflns_number            21880
_diffrn_reflns_theta_full        27.48
_diffrn_reflns_theta_max         27.48
_diffrn_reflns_theta_min         2.04
_exptl_absorpt_coefficient_mu    1.553
_exptl_absorpt_correction_T_max  0.8858
_exptl_absorpt_correction_T_min  0.8602
_exptl_absorpt_correction_type   multi-scan
_exptl_crystal_density_diffrn    1.359
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             1176
_exptl_crystal_size_max          0.10
_exptl_crystal_size_mid          0.10
_exptl_crystal_size_min          0.08
_refine_diff_density_max         1.455
_refine_diff_density_min         -0.760
_refine_diff_density_rms         0.127
_refine_ls_abs_structure_details 'Flack H D (1983), Acta Cryst. A39, 876-881'
_refine_ls_abs_structure_Flack   0.12(3)
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.010
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     298
_refine_ls_number_reflns         6421
_refine_ls_number_restraints     198
_refine_ls_restrained_S_all      1.029
_refine_ls_R_factor_all          0.0809
_refine_ls_R_factor_gt           0.0622
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.1350P)²+1.4527P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1842
_refine_ls_wR_factor_ref         0.2047
_reflns_number_gt                4775
_reflns_number_total             6421
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            cg300440t_si_002.cif
_cod_data_source_block           compound1
_cod_original_cell_volume        2822.7(16)
_cod_original_sg_symbol_Hall     'P 2 2ab '
_cod_database_code               4506319
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
Cu1 Cu 0.89000(6) 0.166094(19) 0.18680(8) 0.0347(2) Uani 1 1 d .
Cu2 Cu 1.11481(6) 0.33226(2) 0.31354(8) 0.0356(2) Uani 1 1 d .
C4 C 0.9880(5) 0.26030(18) 0.1796(6) 0.0360(11) Uani 1 1 d U
C5 C 1.0265(5) 0.23766(18) 0.3145(7) 0.0349(11) Uani 1 1 d U
N5 N 1.1038(5) 0.40089(15) 0.2478(5) 0.0406(13) Uani 1 1 d .
N2 N 0.8928(5) 0.09869(17) 0.2530(6) 0.0463(14) Uani 1 1 d .
O4 O 1.0136(4) 0.30481(13) 0.1556(4) 0.0473(11) Uani 1 1 d .
O3 O 0.9982(4) 0.19220(13) 0.3412(4) 0.0445(10) Uani 1 1 d .
O1 O 0.8160(4) 0.15320(14) 0.0050(5) 0.0489(11) Uani 1 1 d .
O5 O 1.1799(4) 0.34607(14) 0.5025(4) 0.0444(10) Uani 1 1 d .
N4 N 1.0905(4) 0.26795(16) 0.3909(5) 0.0358(10) Uani 1 1 d .
N3 N 0.9301(4) 0.22797(17) 0.1034(5) 0.0388(11) Uani 1 1 d .
O2 O 0.7153(4) 0.18789(18) 0.2938(5) 0.0548(12) Uani 1 1 d .
O6 O 1.2966(4) 0.31409(18) 0.2063(5) 0.0562(12) Uani 1 1 d .
C16 C 1.0355(5) 0.47664(17) 0.1916(7) 0.0424(13) Uani 1 1 d U
C15 C 1.1195(6) 0.4607(2) 0.0941(8) 0.0528(16) Uani 1 1 d U
C7 C 1.1819(5) 0.3087(2) 0.5837(7) 0.0410(13) Uani 1 1 d U
C2 C 0.8831(6) 0.2372(2) -0.0365(6) 0.0479(14) Uani 1 1 d U
H25A H 0.8191 0.2631 -0.0344 0.058 Uiso 1 1 calc R
C1 C 0.8268(6) 0.1883(2) -0.0839(7) 0.0438(14) Uani 1 1 d U
C17 C 1.0285(6) 0.4365(2) 0.2823(7) 0.0497(15) Uani 1 1 d U
C6 C 1.1408(5) 0.2581(2) 0.5231(6) 0.0430(13) Uani 1 1 d U
H28A H 1.0759 0.2438 0.5817 0.052 Uiso 1 1 calc R
N6 N 1.1581(5) 0.41578(17) 0.1320(6) 0.0494(15) Uani 1 1 d .
H6B H 1.2117 0.3985 0.0871 0.059 Uiso 1 1 calc R
C13 C 1.0584(8) 0.0679(3) 0.1019(9) 0.090(3) Uani 1 1 d U
H31A H 1.0406 0.0987 0.0568 0.136 Uiso 1 1 calc R
H31B H 1.0456 0.0410 0.0387 0.136 Uiso 1 1 calc R
H31C H 1.1432 0.0678 0.1326 0.136 Uiso 1 1 calc R
C18 C 0.9543(8) 0.4321(3) 0.4169(9) 0.082(2) Uani 1 1 d U
H30A H 0.9686 0.4001 0.4571 0.123 Uiso 1 1 calc R
H30B H 0.8673 0.4359 0.3978 0.123 Uiso 1 1 calc R
H30C H 0.9805 0.4574 0.4798 0.123 Uiso 1 1 calc R
C14 C 1.1640(8) 0.4848(3) -0.0330(9) 0.091(3) Uani 1 1 d U
H16A H 1.2209 0.4631 -0.0796 0.137 Uiso 1 1 calc R
H16B H 1.2056 0.5152 -0.0101 0.137 Uiso 1 1 calc R
H16C H 1.0947 0.4918 -0.0920 0.137 Uiso 1 1 calc R
N1 N 0.8343(5) 0.08301(17) 0.3716(6) 0.0503(15) Uani 1 1 d .
H5A H 0.7773 0.0994 0.4139 0.060 Uiso 1 1 calc R
C11 C 0.9648(5) 0.02354(17) 0.3157(7) 0.0439(13) Uani 1 1 d U
C8 C 1.2515(6) 0.2226(2) 0.5183(8) 0.0641(18) Uani 1 1 d U
H13A H 1.2251 0.1912 0.4826 0.096 Uiso 1 1 calc R
H13B H 1.2841 0.2183 0.6094 0.096 Uiso 1 1 calc R
H13C H 1.3148 0.2362 0.4598 0.096 Uiso 1 1 calc R
C12 C 0.9747(6) 0.0619(2) 0.2217(7) 0.0513(16) Uani 1 1 d U
C10 C 0.8784(6) 0.0385(2) 0.4122(8) 0.0571(17) Uani 1 1 d U
C9 C 0.8284(9) 0.0148(3) 0.5362(9) 0.104(3) Uani 1 1 d U
H42A H 0.8673 -0.0169 0.5488 0.156 Uiso 1 1 calc R
H42B H 0.7404 0.0104 0.5263 0.156 Uiso 1 1 calc R
H42C H 0.8448 0.0354 0.6147 0.156 Uiso 1 1 calc R
C3 C 0.9888(8) 0.2529(3) -0.1282(7) 0.087(2) Uani 1 1 d U
H43A H 1.0221 0.2838 -0.0960 0.130 Uiso 1 1 calc R
H43B H 0.9591 0.2569 -0.2206 0.130 Uiso 1 1 calc R
H43C H 1.0526 0.2281 -0.1264 0.130 Uiso 1 1 calc R
O1W O 1.4928(7) 0.3578(3) 0.3877(8) 0.115(2) Uiso 1 1 d .
O2W O 0.8404(12) 0.3699(5) 0.0277(14) 0.217(5) 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'
Cu Cu 0.3201 1.2651 '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
N3 Cu1 N2 164.6(2) . .
N3 Cu1 O1 82.21(19) . .
N2 Cu1 O1 98.0(2) . .
N3 Cu1 O3 83.14(18) . .
N2 Cu1 O3 94.07(19) . .
O1 Cu1 O3 163.46(16) . .
N3 Cu1 O2 99.1(2) . .
N2 Cu1 O2 96.1(2) . .
O1 Cu1 O2 97.14(18) . .
O3 Cu1 O2 92.72(17) . .
N4 Cu2 N5 167.8(2) . .
N4 Cu2 O5 81.67(19) . .
N5 Cu2 O5 98.31(18) . .
N4 Cu2 O4 83.86(18) . .
N5 Cu2 O4 93.75(18) . .
O5 Cu2 O4 162.46(16) . .
N4 Cu2 O6 95.92(19) . .
N5 Cu2 O6 96.1(2) . .
O5 Cu2 O6 99.23(18) . .
O4 Cu2 O6 92.07(18) . .
O4 C4 N3 129.8(6) . .
O4 C4 C5 119.3(5) . .
N3 C4 C5 110.8(4) . .
O3 C5 N4 127.4(6) . .
O3 C5 C4 119.7(5) . .
N4 C5 C4 112.9(4) . .
C17 N5 N6 105.6(5) . .
C17 N5 Cu2 130.6(5) . .
N6 N5 Cu2 122.3(4) . .
N1 N2 C12 105.0(5) . .
N1 N2 Cu1 124.1(4) . .
C12 N2 Cu1 128.5(5) . .
C4 O4 Cu2 109.1(4) . .
C5 O3 Cu1 108.5(4) . .
C1 O1 Cu1 115.9(4) . .
C7 O5 Cu2 115.2(4) . .
C5 N4 C6 126.9(5) . .
C5 N4 Cu2 114.7(4) . .
C6 N4 Cu2 118.4(4) . .
C4 N3 C2 125.1(5) . .
C4 N3 Cu1 116.9(4) . .
C2 N3 Cu1 117.6(4) . .
C7 O2 Cu1 135.2(4) 4_456 .
C1 O6 Cu2 132.9(4) 4 .
C15 C16 C17 103.2(5) . .
C15 C16 C16 127.3(4) . 2_765
C17 C16 C16 129.3(5) . 2_765
N6 C15 C16 107.3(6) . .
N6 C15 C14 122.1(6) . .
C16 C15 C14 130.7(6) . .
O2 C7 O5 122.3(6) 4_556 .
O2 C7 C6 120.7(6) 4_556 .
O5 C7 C6 117.0(5) . .
N3 C2 C3 109.6(5) . .
N3 C2 C1 105.6(5) . .
C3 C2 C1 111.4(6) . .
O6 C1 O1 125.8(6) 4_455 .
O6 C1 C2 116.2(6) 4_455 .
O1 C1 C2 118.0(6) . .
N5 C17 C16 112.1(6) . .
N5 C17 C18 119.0(6) . .
C16 C17 C18 128.7(6) . .
N4 C6 C8 112.8(5) . .
N4 C6 C7 106.7(5) . .
C8 C6 C7 109.9(5) . .
C15 N6 N5 111.8(6) . .
C10 N1 N2 110.9(5) . .
C10 C11 C12 106.4(5) . .
C10 C11 C11 126.6(4) . 2_755
C12 C11 C11 127.0(5) . 2_755
C11 C12 N2 110.3(6) . .
C11 C12 C13 130.4(5) . .
N2 C12 C13 119.3(6) . .
N1 C10 C11 107.4(6) . .
N1 C10 C9 120.0(6) . .
C11 C10 C9 132.6(6) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Cu1 N3 1.905(5) .
Cu1 N2 1.929(5) .
Cu1 O1 1.970(5) .
Cu1 O3 2.026(4) .
Cu1 O2 2.228(4) .
Cu2 N4 1.909(4) .
Cu2 N5 1.962(4) .
Cu2 O5 2.001(4) .
Cu2 O4 2.023(4) .
Cu2 O6 2.271(4) .
C4 O4 1.254(6) .
C4 N3 1.302(7) .
C4 C5 1.506(6) .
C5 O3 1.290(6) .
C5 N4 1.301(7) .
N5 C17 1.301(7) .
N5 N6 1.331(7) .
N2 N1 1.380(7) .
N2 C12 1.362(7) .
O1 C1 1.287(7) .
O5 C7 1.281(7) .
N4 C6 1.420(8) .
N3 C2 1.473(8) .
O2 C7 1.247(8) 4_456
O6 C1 1.235(8) 4
C16 C15 1.379(9) .
C16 C17 1.398(8) .
C16 C16 1.474(10) 2_765
C15 N6 1.333(7) .
C15 C14 1.476(10) .
C7 O2 1.247(8) 4_556
C7 C6 1.551(8) .
C2 C3 1.506(9) .
C2 C1 1.524(8) .
C1 O6 1.235(8) 4_455
C17 C18 1.539(11) .
C6 C8 1.528(8) .
C13 C12 1.481(9) .
N1 C10 1.349(7) .
C11 C10 1.381(9) .
C11 C12 1.384(8) .
C11 C11 1.479(9) 2_755
C10 C9 1.468(10) .
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_4
O4 C4 C5 O3 178.5(6) . .
N3 C4 C5 O3 -1.5(7) . .
O4 C4 C5 N4 -3.4(7) . .
N3 C4 C5 N4 176.6(5) . .
N4 Cu2 N5 C17 18.5(14) . .
O5 Cu2 N5 C17 -70.6(6) . .
O4 Cu2 N5 C17 96.7(6) . .
O6 Cu2 N5 C17 -170.9(6) . .
N4 Cu2 N5 N6 -145.1(9) . .
O5 Cu2 N5 N6 125.8(5) . .
O4 Cu2 N5 N6 -66.9(5) . .
O6 Cu2 N5 N6 25.5(5) . .
N3 Cu1 N2 N1 148.3(7) . .
O1 Cu1 N2 N1 -121.8(5) . .
O3 Cu1 N2 N1 69.5(5) . .
O2 Cu1 N2 N1 -23.7(5) . .
N3 Cu1 N2 C12 -11.3(12) . .
O1 Cu1 N2 C12 78.5(6) . .
O3 Cu1 N2 C12 -90.2(6) . .
O2 Cu1 N2 C12 176.6(6) . .
N3 C4 O4 Cu2 -176.4(5) . .
C5 C4 O4 Cu2 3.6(6) . .
N4 Cu2 O4 C4 -2.3(4) . .
N5 Cu2 O4 C4 -170.3(4) . .
O5 Cu2 O4 C4 -36.9(8) . .
O6 Cu2 O4 C4 93.4(4) . .
N4 C5 O3 Cu1 177.1(5) . .
C4 C5 O3 Cu1 -5.1(6) . .
N3 Cu1 O3 C5 7.2(4) . .
N2 Cu1 O3 C5 172.0(4) . .
O1 Cu1 O3 C5 35.0(8) . .
O2 Cu1 O3 C5 -91.7(4) . .
N3 Cu1 O1 C1 0.8(4) . .
N2 Cu1 O1 C1 -163.7(5) . .
O3 Cu1 O1 C1 -27.0(9) . .
O2 Cu1 O1 C1 99.1(5) . .
N4 Cu2 O5 C7 2.7(4) . .
N5 Cu2 O5 C7 170.4(4) . .
O4 Cu2 O5 C7 37.5(8) . .
O6 Cu2 O5 C7 -92.0(5) . .
O3 C5 N4 C6 -1.8(10) . .
C4 C5 N4 C6 -179.7(5) . .
O3 C5 N4 Cu2 179.0(5) . .
C4 C5 N4 Cu2 1.1(6) . .
N5 Cu2 N4 C5 79.7(11) . .
O5 Cu2 N4 C5 170.5(4) . .
O4 Cu2 N4 C5 0.5(4) . .
O6 Cu2 N4 C5 -91.0(4) . .
N5 Cu2 N4 C6 -99.5(10) . .
O5 Cu2 N4 C6 -8.7(4) . .
O4 Cu2 N4 C6 -178.7(4) . .
O6 Cu2 N4 C6 89.8(4) . .
O4 C4 N3 C2 1.9(10) . .
C5 C4 N3 C2 -178.1(5) . .
O4 C4 N3 Cu1 -171.9(5) . .
C5 C4 N3 Cu1 8.1(6) . .
N2 Cu1 N3 C4 -89.2(9) . .
O1 Cu1 N3 C4 178.8(5) . .
O3 Cu1 N3 C4 -8.9(4) . .
O2 Cu1 N3 C4 82.8(4) . .
N2 Cu1 N3 C2 96.5(9) . .
O1 Cu1 N3 C2 4.5(4) . .
O3 Cu1 N3 C2 176.8(4) . .
O2 Cu1 N3 C2 -91.5(4) . .
N3 Cu1 O2 C7 -115.0(7) . 4_456
N2 Cu1 O2 C7 62.9(7) . 4_456
O1 Cu1 O2 C7 161.8(7) . 4_456
O3 Cu1 O2 C7 -31.5(7) . 4_456
N4 Cu2 O6 C1 114.1(6) . 4
N5 Cu2 O6 C1 -63.9(7) . 4
O5 Cu2 O6 C1 -163.4(6) . 4
O4 Cu2 O6 C1 30.1(6) . 4
C17 C16 C15 N6 -1.9(7) . .
C16 C16 C15 N6 -177.7(6) 2_765 .
C17 C16 C15 C14 177.2(8) . .
C16 C16 C15 C14 1.3(12) 2_765 .
Cu2 O5 C7 O2 -177.1(5) . 4_556
Cu2 O5 C7 C6 3.1(7) . .
C4 N3 C2 C3 58.2(8) . .
Cu1 N3 C2 C3 -128.0(5) . .
C4 N3 C2 C1 178.3(6) . .
Cu1 N3 C2 C1 -7.9(6) . .
Cu1 O1 C1 O6 173.3(5) . 4_455
Cu1 O1 C1 C2 -5.8(7) . .
N3 C2 C1 O6 -170.6(5) . 4_455
C3 C2 C1 O6 -51.7(8) . 4_455
N3 C2 C1 O1 8.7(8) . .
C3 C2 C1 O1 127.5(7) . .
N6 N5 C17 C16 -2.3(7) . .
Cu2 N5 C17 C16 -167.9(4) . .
N6 N5 C17 C18 -177.4(6) . .
Cu2 N5 C17 C18 17.0(9) . .
C15 C16 C17 N5 2.6(7) . .
C16 C16 C17 N5 178.3(6) 2_765 .
C15 C16 C17 C18 177.1(7) . .
C16 C16 C17 C18 -7.1(11) 2_765 .
C5 N4 C6 C8 71.8(8) . .
Cu2 N4 C6 C8 -109.1(5) . .
C5 N4 C6 C7 -167.5(5) . .
Cu2 N4 C6 C7 11.6(6) . .
O2 C7 C6 N4 171.0(5) 4_556 .
O5 C7 C6 N4 -9.2(7) . .
O2 C7 C6 C8 -66.5(8) 4_556 .
O5 C7 C6 C8 113.3(6) . .
C16 C15 N6 N5 0.6(7) . .
C14 C15 N6 N5 -178.5(7) . .
C17 N5 N6 C15 1.0(7) . .
Cu2 N5 N6 C15 168.1(5) . .
C12 N2 N1 C10 0.3(7) . .
Cu1 N2 N1 C10 -163.4(5) . .
C10 C11 C12 N2 -3.2(8) . .
C11 C11 C12 N2 178.5(6) 2_755 .
C10 C11 C12 C13 175.6(8) . .
C11 C11 C12 C13 -2.7(13) 2_755 .
N1 N2 C12 C11 1.8(7) . .
Cu1 N2 C12 C11 164.5(5) . .
N1 N2 C12 C13 -177.1(7) . .
Cu1 N2 C12 C13 -14.5(10) . .
N2 N1 C10 C11 -2.2(8) . .
N2 N1 C10 C9 -179.7(7) . .
C12 C11 C10 N1 3.2(8) . .
C11 C11 C10 N1 -178.4(7) 2_755 .
C12 C11 C10 C9 -179.7(9) . .
C11 C11 C10 C9 -1.4(14) 2_755 .
