#------------------------------------------------------------------------------
#$Date: 2022-11-09 10:54:32 +0200 (Wed, 09 Nov 2022) $
#$Revision: 279147 $
#$URL: file:///home/coder/svn-repositories/cod/cif/8/10/60/8106035.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_8106035
loop_
_publ_author_name
'Li, Jing'
'Yu, Bin'
'Jia, Hao-Ran'
'Sun, Yin-Xia'
_publ_section_title
;
 Crystal structure of
 bis((1-(((4-(((benzyloxy)imino)methyl)phenyl)imino)methyl)naphthalen-2-yl)oxy-κ2
 O,N)copper(II), C52H42CuN4O4
;
_journal_issue                   1
_journal_name_full
'Zeitschrift für Kristallographie - New Crystal Structures'
_journal_page_first              33
_journal_page_last               35
_journal_paper_doi               10.1515/ncrs-2017-0107
_journal_volume                  233
_journal_year                    2018
_chemical_formula_moiety         'C52 H42 Cu N4 O4'
_chemical_formula_sum            'C52 H42 Cu N4 O4'
_chemical_formula_weight         850.44
_space_group_crystal_system      monoclinic
_space_group_IT_number           15
_space_group_name_Hall           '-I 2yc'
_space_group_name_H-M_alt        'I 1 2/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     iterative
_atom_sites_solution_secondary   difmap
_cell_angle_alpha                90.00
_cell_angle_beta                 97.428(5)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   21.8573(13)
_cell_length_b                   5.8605(4)
_cell_length_c                   33.683(2)
_cell_measurement_reflns_used    1673
_cell_measurement_temperature    293.42(10)
_cell_measurement_theta_max      23.9230
_cell_measurement_theta_min      3.5980
_cell_volume                     4278.4(5)
_computing_cell_refinement
;
CrysAlisPro, Agilent Technologies,
Version 1.171.37.33 (release 27-03-2014 CrysAlis171 .NET)
(compiled Mar 27 2014,17:12:48)
;
_computing_data_collection
;
CrysAlisPro, Agilent Technologies,
Version 1.171.37.33 (release 27-03-2014 CrysAlis171 .NET)
(compiled Mar 27 2014,17:12:48)
;
_computing_data_reduction
;
CrysAlisPro, Agilent Technologies,
Version 1.171.37.33 (release 27-03-2014 CrysAlis171 .NET)
(compiled Mar 27 2014,17:12:48)
;
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'ShelXL (Sheldrick, 2008)'
_computing_structure_solution
;
Superflip (Palatinus & Chapuis, 2007;Palatinus & van der Lee, 2008;
Palatinus et al., 2012)
;
_diffrn_ambient_environment      air
_diffrn_ambient_temperature      293.42(10)
_diffrn_detector                 'CCD plate'
_diffrn_detector_area_resol_mean 16.0733
_diffrn_detector_type            Eos
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_details
;
#__ type_ start__ end____ width___ exp.time_
  1 omega   10.00   89.20   1.2000    8.0000
omega____ theta____ kappa____ phi______ frames
    -       20.5854   57.0000   30.0000 66

#__ type_ start__ end____ width___ exp.time_
  2 omega   48.00   96.00   1.2000    8.0000
omega____ theta____ kappa____ phi______ frames
    -       20.5854  178.0000  -30.0000 40

#__ type_ start__ end____ width___ exp.time_
  3 omega  -72.00  -27.60   1.2000    8.0000
omega____ theta____ kappa____ phi______ frames
    -      -17.1479  132.0000   63.0000 37

#__ type_ start__ end____ width___ exp.time_
  4 omega  -21.00   41.40   1.2000    8.0000
omega____ theta____ kappa____ phi______ frames
    -       20.5854  -57.0000  -90.0000 52
;
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'SuperNova, Dual, Cu at zero, Eos'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_UB_11      0.0082359000
_diffrn_orient_matrix_UB_12      -0.0565367000
_diffrn_orient_matrix_UB_13      0.0185422000
_diffrn_orient_matrix_UB_21      -0.0065953000
_diffrn_orient_matrix_UB_22      0.1006386000
_diffrn_orient_matrix_UB_23      0.0103618000
_diffrn_orient_matrix_UB_31      -0.0309681000
_diffrn_orient_matrix_UB_32      -0.0364068000
_diffrn_orient_matrix_UB_33      -0.0001773000
_diffrn_radiation_monochromator  mirror
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0451
_diffrn_reflns_av_unetI/netI     0.0782
_diffrn_reflns_limit_h_max       24
_diffrn_reflns_limit_h_min       -26
_diffrn_reflns_limit_k_max       6
_diffrn_reflns_limit_k_min       -7
_diffrn_reflns_limit_l_max       29
_diffrn_reflns_limit_l_min       -41
_diffrn_reflns_number            8438
_diffrn_reflns_theta_full        25.50
_diffrn_reflns_theta_max         26.02
_diffrn_reflns_theta_min         3.27
_diffrn_source                   'SuperNova (Mo) X-ray Source'
_exptl_absorpt_coefficient_mu    0.562
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.74911
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
CrysAlisPro, Agilent Technologies,
Version 1.171.37.33 (release 27-03-2014 CrysAlis171 .NET)
(compiled Mar 27 2014,17:12:48)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            'clear light brown'
_exptl_crystal_colour_lustre     clear
_exptl_crystal_colour_modifier   light
_exptl_crystal_colour_primary    brown
_exptl_crystal_density_diffrn    1.320
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1772
_exptl_crystal_size_max          0.24
_exptl_crystal_size_mid          0.15
_exptl_crystal_size_min          0.14
_refine_diff_density_max         0.480
_refine_diff_density_min         -0.366
_refine_diff_density_rms         0.060
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.060
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     278
_refine_ls_number_reflns         4218
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.060
_refine_ls_R_factor_all          0.0864
_refine_ls_R_factor_gt           0.0554
_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)+(0.0325P)²+2.6005P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1042
_refine_ls_wR_factor_ref         0.1255
_reflns_number_gt                2896
_reflns_number_total             4218
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            suppl_ncrs-2017-0107_suppl.cif
_cod_data_source_block           s011_1
_cod_database_code               8106035
_reflns_odcompleteness_completeness 99.67
_reflns_odcompleteness_iscentric 1
_reflns_odcompleteness_theta     26.32
_olex2_refinement_description
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2.a Secondary CH2 refined with riding coordinates:
 C20(H20A,H20B)
2.b Aromatic/amide H refined with riding coordinates:
 C2(H2), C3(H3), C5(H5), C6(H6), C7(H7), C8(H8), C11(H11), C13(H13), C14(H14),
 C16(H16), C17(H17), C22(H22), C23(H23), C24(H24), C25(H25), C26(H26)
2.c Idealised Me refined as rotating group:
 C19(H19A,H19B,H19C)
;
_olex2_date_sample_data_collection 2015-04-16
_olex2_submission_special_instructions 'No special instructions were received'
loop_
_space_group_symop_id
_space_group_symop_operation_xyz
1 'x, y, z'
2 '-x, y, -z+1/2'
3 'x+1/2, y+1/2, z+1/2'
4 '-x+1/2, y+1/2, -z+1'
5 '-x, -y, -z'
6 'x, -y, z-1/2'
7 '-x+1/2, -y+1/2, -z+1/2'
8 '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_calc_flag
_atom_site_disorder_assembly
_atom_site_disorder_group
_atom_site_site_symmetry_order
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
Cu1 Cu 0.5000 0.5000 0.5000 0.03460(18) Uani 1 d . . 2 S T P
O1 O 0.46444(9) 0.7736(4) 0.47887(6) 0.0422(6) Uani 1 d . . 1 . . .
O2 O 0.62223(13) -0.0490(5) 0.74322(8) 0.0789(9) Uani 1 d . . 1 . . .
N1 N 0.46770(11) 0.5559(4) 0.55213(7) 0.0341(6) Uani 1 d . . 1 . . .
N2 N 0.60089(16) 0.0964(6) 0.71063(9) 0.0698(10) Uani 1 d . . 1 . . .
C1 C 0.42302(13) 0.9011(6) 0.49173(9) 0.0336(7) Uani 1 d . . 1 . . .
C2 C 0.40384(13) 1.0974(6) 0.46836(9) 0.0387(8) Uani 1 d . . 1 . . .
H2 H 0.4204 1.1238 0.4447 0.046 Uiso 1 calc . . 1 R . .
C3 C 0.36219(13) 1.2459(6) 0.47977(10) 0.0407(8) Uani 1 d . . 1 . . .
H3 H 0.3522 1.3758 0.4644 0.049 Uiso 1 calc . . 1 R . .
C4 C 0.33357(13) 1.2083(5) 0.51439(9) 0.0350(7) Uani 1 d . . 1 . . .
C5 C 0.28910(14) 1.3604(6) 0.52522(10) 0.0459(9) Uani 1 d . . 1 . . .
H5 H 0.2806 1.4933 0.5104 0.055 Uiso 1 calc . . 1 R . .
C6 C 0.25800(15) 1.3174(7) 0.55703(11) 0.0520(10) Uani 1 d . . 1 . . .
H6 H 0.2287 1.4201 0.5638 0.062 Uiso 1 calc . . 1 R . .
C7 C 0.27061(15) 1.1176(7) 0.57931(10) 0.0511(9) Uani 1 d . . 1 . . .
H7 H 0.2490 1.0861 0.6007 0.061 Uiso 1 calc . . 1 R . .
C8 C 0.31459(14) 0.9681(6) 0.56979(9) 0.0410(8) Uani 1 d . . 1 . . .
H8 H 0.3223 0.8360 0.5849 0.049 Uiso 1 calc . . 1 R . .
C9 C 0.34831(12) 1.0098(5) 0.53772(9) 0.0330(7) Uani 1 d . . 1 . . .
C10 C 0.39682(13) 0.8618(5) 0.52729(9) 0.0334(7) Uani 1 d . . 1 . . .
C11 C 0.42365(13) 0.7000(6) 0.55586(9) 0.0363(7) Uani 1 d . . 1 . . .
H11 H 0.4077 0.6970 0.5802 0.044 Uiso 1 calc . . 1 R . .
C12 C 0.48849(13) 0.4214(6) 0.58685(9) 0.0353(7) Uani 1 d . . 1 . . .
C13 C 0.44734(14) 0.2988(6) 0.60657(9) 0.0428(8) Uani 1 d . . 1 . . .
H13 H 0.4053 0.3053 0.5976 0.051 Uiso 1 calc . . 1 R . .
C14 C 0.46849(16) 0.1670(7) 0.63956(10) 0.0514(9) Uani 1 d . . 1 . . .
H14 H 0.4404 0.0839 0.6523 0.062 Uiso 1 calc . . 1 R . .
C15 C 0.53028(16) 0.1566(6) 0.65387(10) 0.0483(9) Uani 1 d . . 1 . . .
C16 C 0.57119(15) 0.2822(6) 0.63410(10) 0.0495(9) Uani 1 d . . 1 . . .
H16 H 0.6131 0.2785 0.6435 0.059 Uiso 1 calc . . 1 R . .
C17 C 0.55077(14) 0.4114(6) 0.60103(10) 0.0445(9) Uani 1 d . . 1 . . .
H17 H 0.5789 0.4926 0.5881 0.053 Uiso 1 calc . . 1 R . .
C18 C 0.55336(18) 0.0142(7) 0.68942(11) 0.0553(10) Uani 1 d . . 1 . . .
C19 C 0.5222(2) -0.2064(8) 0.69651(13) 0.0856(15) Uani 1 d . . 1 . . .
H19A H 0.5514 -0.3083 0.7110 0.128 Uiso 1 calc . . 1 GR . .
H19B H 0.5064 -0.2738 0.6713 0.128 Uiso 1 calc . . 1 GR . .
H19C H 0.4888 -0.1786 0.7118 0.128 Uiso 1 calc . . 1 GR . .
C20 C 0.6785(3) 0.0454(9) 0.76209(14) 0.116(2) Uani 1 d . . 1 . . .
H20A H 0.6704 0.1907 0.7742 0.139 Uiso 1 calc . . 1 R . .
H20B H 0.7062 0.0719 0.7423 0.139 Uiso 1 calc . . 1 R . .
C21 C 0.7079(2) -0.1151(8) 0.79360(12) 0.0717(13) Uani 1 d . . 1 . . .
C22 C 0.6761(2) -0.2899(9) 0.80915(13) 0.0837(15) Uani 1 d . . 1 . . .
H22 H 0.6341 -0.3091 0.8008 0.100 Uiso 1 calc . . 1 R . .
C23 C 0.7068(2) -0.4371(9) 0.83726(13) 0.0842(15) Uani 1 d . . 1 . . .
H23 H 0.6853 -0.5549 0.8477 0.101 Uiso 1 calc . . 1 R . .
C24 C 0.7683(2) -0.4106(10) 0.84966(13) 0.0838(15) Uani 1 d . . 1 . . .
H24 H 0.7888 -0.5114 0.8681 0.101 Uiso 1 calc . . 1 R . .
C25 C 0.7995(2) -0.2355(10) 0.83485(14) 0.0861(15) Uani 1 d . . 1 . . .
H25 H 0.8412 -0.2144 0.8438 0.103 Uiso 1 calc . . 1 R . .
C26 C 0.7696(2) -0.0887(9) 0.80656(13) 0.0817(14) Uani 1 d . . 1 . . .
H26 H 0.7915 0.0286 0.7963 0.098 Uiso 1 calc . . 1 R . .
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'
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
O1 Cu1 O1 180.00(12) 5_666 .
O1 Cu1 N1 90.98(9) . .
O1 Cu1 N1 89.02(9) 5_666 .
O1 Cu1 N1 89.02(9) . 5_666
O1 Cu1 N1 90.98(9) 5_666 5_666
N1 Cu1 N1 180.00(5) . 5_666
C1 O1 Cu1 129.8(2) . .
N2 O2 C20 106.9(3) . .
C11 N1 Cu1 122.7(2) . .
C11 N1 C12 116.0(2) . .
C12 N1 Cu1 121.0(2) . .
C18 N2 O2 111.6(3) . .
O1 C1 C2 116.8(3) . .
O1 C1 C10 124.7(3) . .
C10 C1 C2 118.5(3) . .
C1 C2 H2 119.2 . .
C3 C2 C1 121.6(3) . .
C3 C2 H2 119.2 . .
C2 C3 H3 119.3 . .
C2 C3 C4 121.5(3) . .
C4 C3 H3 119.3 . .
C3 C4 C9 119.6(3) . .
C5 C4 C3 120.8(3) . .
C5 C4 C9 119.6(3) . .
C4 C5 H5 119.4 . .
C6 C5 C4 121.3(3) . .
C6 C5 H5 119.4 . .
C5 C6 H6 120.2 . .
C5 C6 C7 119.5(3) . .
C7 C6 H6 120.2 . .
C6 C7 H7 119.8 . .
C8 C7 C6 120.4(3) . .
C8 C7 H7 119.8 . .
C7 C8 H8 119.2 . .
C7 C8 C9 121.5(3) . .
C9 C8 H8 119.2 . .
C4 C9 C10 118.6(3) . .
C8 C9 C4 117.7(3) . .
C8 C9 C10 123.8(3) . .
C1 C10 C9 119.9(3) . .
C1 C10 C11 120.4(3) . .
C11 C10 C9 119.1(3) . .
N1 C11 C10 127.9(3) . .
N1 C11 H11 116.1 . .
C10 C11 H11 116.1 . .
C13 C12 N1 121.2(3) . .
C17 C12 N1 119.9(3) . .
C17 C12 C13 118.9(3) . .
C12 C13 H13 119.9 . .
C14 C13 C12 120.3(3) . .
C14 C13 H13 119.9 . .
C13 C14 H14 119.4 . .
C15 C14 C13 121.2(3) . .
C15 C14 H14 119.4 . .
C14 C15 C16 118.1(3) . .
C14 C15 C18 121.4(3) . .
C16 C15 C18 120.5(3) . .
C15 C16 H16 119.4 . .
C17 C16 C15 121.2(3) . .
C17 C16 H16 119.4 . .
C12 C17 H17 119.8 . .
C16 C17 C12 120.3(3) . .
C16 C17 H17 119.8 . .
N2 C18 C15 113.8(4) . .
N2 C18 C19 126.3(3) . .
C15 C18 C19 119.9(3) . .
C18 C19 H19A 109.5 . .
C18 C19 H19B 109.5 . .
C18 C19 H19C 109.5 . .
H19A C19 H19B 109.5 . .
H19A C19 H19C 109.5 . .
H19B C19 H19C 109.5 . .
O2 C20 H20A 109.7 . .
O2 C20 H20B 109.7 . .
O2 C20 C21 109.9(4) . .
H20A C20 H20B 108.2 . .
C21 C20 H20A 109.7 . .
C21 C20 H20B 109.7 . .
C22 C21 C20 122.9(4) . .
C26 C21 C20 118.0(4) . .
C26 C21 C22 119.1(4) . .
C21 C22 H22 120.1 . .
C21 C22 C23 119.8(4) . .
C23 C22 H22 120.1 . .
C22 C23 H23 119.7 . .
C24 C23 C22 120.6(5) . .
C24 C23 H23 119.7 . .
C23 C24 H24 120.2 . .
C25 C24 C23 119.6(4) . .
C25 C24 H24 120.2 . .
C24 C25 H25 119.7 . .
C24 C25 C26 120.5(5) . .
C26 C25 H25 119.7 . .
C21 C26 C25 120.4(5) . .
C21 C26 H26 119.8 . .
C25 C26 H26 119.8 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Cu1 O1 1.881(2) 5_666
Cu1 O1 1.881(2) .
Cu1 N1 2.002(2) .
Cu1 N1 2.002(2) 5_666
O1 C1 1.291(3) .
O2 N2 1.420(4) .
O2 C20 1.421(5) .
N1 C11 1.299(4) .
N1 C12 1.434(4) .
N2 C18 1.277(5) .
C1 C2 1.426(4) .
C1 C10 1.412(4) .
C2 H2 0.9300 .
C2 C3 1.350(4) .
C3 H3 0.9300 .
C3 C4 1.410(4) .
C4 C5 1.402(4) .
C4 C9 1.417(4) .
C5 H5 0.9300 .
C5 C6 1.365(5) .
C6 H6 0.9300 .
C6 C7 1.399(5) .
C7 H7 0.9300 .
C7 C8 1.369(4) .
C8 H8 0.9300 .
C8 C9 1.406(4) .
C9 C10 1.448(4) .
C10 C11 1.423(4) .
C11 H11 0.9300 .
C12 C13 1.386(4) .
C12 C17 1.384(4) .
C13 H13 0.9300 .
C13 C14 1.383(4) .
C14 H14 0.9300 .
C14 C15 1.375(4) .
C15 C16 1.392(5) .
C15 C18 1.493(5) .
C16 H16 0.9300 .
C16 C17 1.373(4) .
C17 H17 0.9300 .
C18 C19 1.494(6) .
C19 H19A 0.9600 .
C19 H19B 0.9600 .
C19 H19C 0.9600 .
C20 H20A 0.9700 .
C20 H20B 0.9700 .
C20 C21 1.500(5) .
C21 C22 1.380(6) .
C21 C26 1.372(6) .
C22 H22 0.9300 .
C22 C23 1.388(6) .
C23 H23 0.9300 .
C23 C24 1.364(6) .
C24 H24 0.9300 .
C24 C25 1.362(6) .
C25 H25 0.9300 .
C25 C26 1.383(6) .
C26 H26 0.9300 .
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
Cu1 O1 C1 C2 -178.3(2) . . . .
Cu1 O1 C1 C10 3.0(5) . . . .
Cu1 N1 C11 C10 -9.4(4) . . . .
Cu1 N1 C12 C13 -122.4(3) . . . .
Cu1 N1 C12 C17 57.1(4) . . . .
O1 Cu1 O1 C1 9(44) 5_666 . . .
O1 Cu1 N1 C11 -162.5(3) 5_666 . . .
O1 Cu1 N1 C11 17.5(3) . . . .
O1 Cu1 N1 C12 -168.4(2) . . . .
O1 Cu1 N1 C12 11.6(2) 5_666 . . .
O1 C1 C2 C3 -177.9(3) . . . .
O1 C1 C10 C9 -176.8(3) . . . .
O1 C1 C10 C11 12.5(5) . . . .
O2 N2 C18 C15 -178.0(3) . . . .
O2 N2 C18 C19 -0.1(6) . . . .
O2 C20 C21 C22 -17.4(7) . . . .
O2 C20 C21 C26 161.0(4) . . . .
N1 Cu1 O1 C1 164.9(3) 5_666 . . .
N1 Cu1 O1 C1 -15.1(3) . . . .
N1 Cu1 N1 C11 61(88) 5_666 . . .
N1 Cu1 N1 C12 -125(88) 5_666 . . .
N1 C12 C13 C14 178.8(3) . . . .
N1 C12 C17 C16 -179.6(3) . . . .
N2 O2 C20 C21 -172.8(4) . . . .
C1 C2 C3 C4 -2.9(5) . . . .
C1 C10 C11 N1 -8.4(5) . . . .
C2 C1 C10 C9 4.6(4) . . . .
C2 C1 C10 C11 -166.1(3) . . . .
C2 C3 C4 C5 -178.1(3) . . . .
C2 C3 C4 C9 -0.5(5) . . . .
C3 C4 C5 C6 175.3(3) . . . .
C3 C4 C9 C8 -174.2(3) . . . .
C3 C4 C9 C10 5.7(4) . . . .
C4 C5 C6 C7 -0.1(5) . . . .
C4 C9 C10 C1 -7.8(4) . . . .
C4 C9 C10 C11 163.0(3) . . . .
C5 C4 C9 C8 3.5(4) . . . .
C5 C4 C9 C10 -176.6(3) . . . .
C5 C6 C7 C8 1.2(5) . . . .
C6 C7 C8 C9 0.1(5) . . . .
C7 C8 C9 C4 -2.4(5) . . . .
C7 C8 C9 C10 177.7(3) . . . .
C8 C9 C10 C1 172.1(3) . . . .
C8 C9 C10 C11 -17.1(5) . . . .
C9 C4 C5 C6 -2.3(5) . . . .
C9 C10 C11 N1 -179.2(3) . . . .
C10 C1 C2 C3 0.8(5) . . . .
C11 N1 C12 C13 52.1(4) . . . .
C11 N1 C12 C17 -128.4(3) . . . .
C12 N1 C11 C10 176.2(3) . . . .
C12 C13 C14 C15 0.9(6) . . . .
C13 C12 C17 C16 -0.1(5) . . . .
C13 C14 C15 C16 -0.2(6) . . . .
C13 C14 C15 C18 -179.9(3) . . . .
C14 C15 C16 C17 -0.6(6) . . . .
C14 C15 C18 N2 -147.7(4) . . . .
C14 C15 C18 C19 34.3(6) . . . .
C15 C16 C17 C12 0.7(6) . . . .
C16 C15 C18 N2 32.7(5) . . . .
C16 C15 C18 C19 -145.4(4) . . . .
C17 C12 C13 C14 -0.7(5) . . . .
C18 C15 C16 C17 179.1(3) . . . .
C20 O2 N2 C18 173.9(4) . . . .
C20 C21 C22 C23 177.8(5) . . . .
C20 C21 C26 C25 -178.4(5) . . . .
C21 C22 C23 C24 0.0(8) . . . .
C22 C21 C26 C25 0.0(7) . . . .
C22 C23 C24 C25 1.2(8) . . . .
C23 C24 C25 C26 -1.8(8) . . . .
C24 C25 C26 C21 1.2(8) . . . .
C26 C21 C22 C23 -0.6(7) . . . .
