#------------------------------------------------------------------------------
#$Date: 2019-02-05 00:11:42 +0100 (Tue 05 de Feb de 2019) $
#$Revision: 213485 $
#$URL: svn://www.crystallography.net/cod/cif/7/12/29/7122938.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_7122938
loop_
_publ_author_name
'Huang, Zhe'
'Tan, Genwen'
'Chen, Chao'
'Zhang, Wen-Xiong'
'Wang, Xinping'
'Xi, Zhenfeng'
_publ_section_title
;
 Selective reduction of 1,5-diazacyclooctatetraenes: synthesis and
 structures of aromatic diazacyclooctatetraenyl dianions and
 2,6-bipyrrolinyl dianionic Co(II) complex
;
_journal_name_full               'Chemical Communications'
_journal_paper_doi               10.1039/C9CC00075E
_journal_year                    2019
_chemical_formula_moiety         'C19 H29 K N O3'
_chemical_formula_sum            'C19 H29 K N O3'
_chemical_formula_weight         358.55
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_symmetry_Int_Tables_number      2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_primary     direct
_audit_creation_date             2017-08-25
_audit_creation_method
;
Olex2 1.2
(compiled 2017.08.10 svn.r3458 for OlexSys, GUI svn.r5381)
;
_audit_update_record
;
2017-08-25 deposited with the CCDC.
2019-02-04 downloaded from the CCDC.
;
_cell_angle_alpha                116.878(3)
_cell_angle_beta                 104.713(3)
_cell_angle_gamma                98.473(3)
_cell_formula_units_Z            2
_cell_length_a                   9.3241(3)
_cell_length_b                   10.8056(3)
_cell_length_c                   11.7204(4)
_cell_measurement_reflns_used    12632
_cell_measurement_temperature    100.00(10)
_cell_measurement_theta_max      30.2880
_cell_measurement_theta_min      4.0220
_cell_volume                     970.58(7)
_computing_cell_refinement       'CrysAlisPro 1.171.39.7e (Rigaku OD, 2015)'
_computing_data_collection       'CrysAlisPro 1.171.39.7e (Rigaku OD, 2015)'
_computing_data_reduction        'CrysAlisPro 1.171.39.7e (Rigaku OD, 2015)'
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'ShelXL (Sheldrick, 2015)'
_computing_structure_solution    'ShelXS (Sheldrick, 2008)'
_diffrn_ambient_environment      N~2~
_diffrn_ambient_temperature      100.00(10)
_diffrn_detector                 'CCD plate'
_diffrn_measured_fraction_theta_full 0.9975
_diffrn_measured_fraction_theta_max 0.9975
_diffrn_measurement_details
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  tₑₓₚ   ω     θ     κ     φ   Frames
#--------------------------------------------------------------------------
  1  ω    -33.00  88.00   0.50    0.50    --   -0.90  19.00 -90.00  242
  2  ω     35.00  76.00   0.50    0.50    --   -0.90  19.00  90.00   82
  3  ω     22.00  87.00   0.50    0.50    --   -0.90  19.00 150.00  130
  4  ω     -8.00  34.00   0.50    0.50    --    1.50 -82.00  60.00   84
  5  ω    -22.00  32.00   0.50    0.50    --   -0.90 -82.00 -60.00  108
  6  ω      9.00  34.00   0.50    0.50    --    1.50 -82.00-150.00   50
  7  ω    -33.00  28.00   0.50    0.50    --   -0.90  19.00  90.00  122
  8  ω    -26.00  57.00   0.50    0.50    --   -0.90  57.00 -60.00  166
  9  ω    -24.00  34.00   0.50    0.50    --   -0.90  38.00   0.00  116
 10  ω    -31.00  -4.00   0.50    0.50    --   -0.90  19.00 150.00   54
 11  ω    -19.00  26.00   0.50    0.50    --    1.50 -57.00 150.00   90
 12  ω    -28.00  34.00   0.50    0.50    --    1.50 -82.00 120.00  124
 13  ω    -71.00 -46.00   0.50    0.50    --    1.50 -57.00 150.00   50
;
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'XtaLAB Pro: Kappa single'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_type
'CrysAlisPro convention (1999,Acta A55,543-557)'
_diffrn_orient_matrix_UB_11      0.0359981000
_diffrn_orient_matrix_UB_12      0.0362651000
_diffrn_orient_matrix_UB_13      0.0724681000
_diffrn_orient_matrix_UB_21      0.0640422000
_diffrn_orient_matrix_UB_22      0.0416378000
_diffrn_orient_matrix_UB_23      -0.0026791000
_diffrn_orient_matrix_UB_31      -0.0376579000
_diffrn_orient_matrix_UB_32      0.0540171000
_diffrn_orient_matrix_UB_33      0.0067013000
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0367
_diffrn_reflns_av_unetI/netI     0.0270
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_number            28633
_diffrn_reflns_theta_full        27.4806
_diffrn_reflns_theta_max         27.48
_diffrn_reflns_theta_min         3.69
_diffrn_source                   'fine-focus sealed X-ray tube'
_diffrn_source_type              'Enhance (Mo) X-ray Source'
_exptl_absorpt_coefficient_mu    0.289
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.76517
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
CrysAlisPro 1.171.39.7e (Rigaku Oxford Diffraction, 2015)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            'clear light yellow'
_exptl_crystal_colour_lustre     clear
_exptl_crystal_colour_modifier   light
_exptl_crystal_colour_primary    yellow
_exptl_crystal_density_diffrn    1.2268
_exptl_crystal_description       block
_exptl_crystal_F_000             386.5888
_exptl_crystal_size_max          0.1
_exptl_crystal_size_mid          0.05
_exptl_crystal_size_min          0.05
_refine_diff_density_max         0.6381
_refine_diff_density_min         -0.6907
_refine_diff_density_rms         0.0544
_refine_ls_d_res_high            0.7701
_refine_ls_d_res_low             5.5238
_refine_ls_goodness_of_fit_ref   1.0417
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_constraints    44
_refine_ls_number_parameters     222
_refine_ls_number_reflns         4424
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.0417
_refine_ls_R_factor_all          0.0405
_refine_ls_R_factor_gt           0.0369
_refine_ls_shift/su_max          0.0000
_refine_ls_shift/su_mean         0.0000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0480P)²+0.5890P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1001
_refine_ls_wR_factor_ref         0.1021
_reflns_Friedel_coverage         0.0
_reflns_limit_h_max              11
_reflns_limit_h_min              -12
_reflns_limit_k_max              12
_reflns_limit_k_min              -14
_reflns_limit_l_max              15
_reflns_limit_l_min              0
_reflns_number_gt                4001
_reflns_number_total             4424
_reflns_threshold_expression     I>=2u(I)
_cod_data_source_file            c9cc00075e2.cif
_cod_data_source_block           exp_147
_cod_original_cell_volume        970.57(7)
_cod_database_code               7122938
_chemical_oxdiff_formula         'C H O N K'
_reflns_odcompleteness_completeness 99.75
_reflns_odcompleteness_iscentric 1
_reflns_odcompleteness_theta     27.42
_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 Ternary CH refined with riding coordinates:
 C2(H2)
2.b Secondary CH2 refined with riding coordinates:
 C15(H15a,H15b), C16(H16a,H16b), C17(H17a,H17b), C18(H18a,H18b)
2.c Aromatic/amide H refined with riding coordinates:
 C9(H9), C10(H10), C11(H11), C12(H12), C13(H13)
2.d Idealised Me refined as rotating group:
 C5(H5a,H5b,H5c), C7(H7a,H7b,H7c), C6(H6a,H6b,H6c), C14(H14a,H14b,H14c),
 C19(H19a,H19b,H19c)
;
_olex2_submission_special_instructions 'No special instructions were received'
_oxdiff_exptl_absorpt_empirical_details
;
Empirical correction (ABSPACK) includes:
- Absorption correction using spherical harmonics
- Frame scaling
- Detector area scaling
;
_oxdiff_exptl_absorpt_empirical_full_max 1.400
_oxdiff_exptl_absorpt_empirical_full_min 0.769
loop_
_space_group_symop_id
_space_group_symop_operation_xyz
1 x,y,z
2 -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_refinement_flags_posn
K1 K 0.75466(3) 0.94641(3) 0.04592(3) 0.02239(10) Uani 1.000000 .
O1 O 0.86956(14) 0.87627(12) 0.27029(13) 0.0309(3) Uani 1.000000 .
O2 O 0.89248(12) 0.72810(11) 0.00797(11) 0.0234(2) Uani 1.000000 .
O3 O 0.93611(13) 0.86102(12) -0.15073(13) 0.0298(3) Uani 1.000000 .
C2 C 0.52774(14) 1.05710(13) 0.17803(12) 0.0121(2) Uani 1.000000 .
H2 H 0.51305(14) 1.09278(13) 0.26797(12) 0.0145(3) Uiso 1.000000 R
C1 C 0.44874(14) 0.90963(14) 0.08770(13) 0.0149(2) Uani 1.000000 .
C3 C 0.59261(15) 1.17110(14) 0.16435(13) 0.0161(3) Uani 1.000000 .
N1 N 0.60116(14) 1.18312(13) 0.05383(12) 0.0206(2) Uani 1.000000 .
C8 C 0.41339(15) 0.83003(14) 0.15960(13) 0.0166(3) Uani 1.000000 .
C9 C 0.40113(17) 0.68081(15) 0.10321(15) 0.0229(3) Uani 1.000000 .
H9 H 0.41068(17) 0.62905(15) 0.01637(15) 0.0275(3) Uiso 1.000000 R
C10 C 0.3754(2) 0.60743(17) 0.17144(17) 0.0302(3) Uani 1.000000 .
H10 H 0.3690(2) 0.50725(17) 0.13107(17) 0.0362(4) Uiso 1.000000 R
C11 C 0.3591(2) 0.67912(18) 0.29795(17) 0.0315(4) Uani 1.000000 .
H11 H 0.3411(2) 0.62883(18) 0.34419(17) 0.0378(4) Uiso 1.000000 R
C12 C 0.36960(17) 0.82574(18) 0.35540(15) 0.0259(3) Uani 1.000000 .
H12 H 0.35800(17) 0.87609(18) 0.44151(15) 0.0310(4) Uiso 1.000000 R
C13 C 0.39697(16) 0.89972(15) 0.28798(14) 0.0197(3) Uani 1.000000 .
H13 H 0.40479(16) 1.00024(15) 0.32994(14) 0.0236(3) Uiso 1.000000 R
C4 C 0.67853(15) 1.31534(15) 0.30771(14) 0.0195(3) Uani 1.000000 .
C5 C 0.56351(18) 1.36266(18) 0.37997(16) 0.0316(4) Uani 1.000000 .
H5a H 0.4837(9) 1.3833(14) 0.3246(7) 0.0475(5) Uiso 1.000000 GR
H5b H 0.5140(12) 1.2843(6) 0.3910(12) 0.0475(5) Uiso 1.000000 GR
H5c H 0.6195(3) 1.4505(9) 0.4704(6) 0.0475(5) Uiso 1.000000 GR
C7 C 0.75507(19) 1.44489(16) 0.29845(18) 0.0302(3) Uani 1.000000 .
H7a H 0.8306(11) 1.4201(5) 0.2536(12) 0.0453(5) Uiso 1.000000 GR
H7b H 0.6750(3) 1.4670(9) 0.2448(11) 0.0453(5) Uiso 1.000000 GR
H7c H 0.8084(13) 1.5301(4) 0.39104(19) 0.0453(5) Uiso 1.000000 GR
C6 C 0.80654(18) 1.29074(18) 0.40069(16) 0.0294(3) Uani 1.000000 .
H6a H 0.7589(2) 1.2169(10) 0.4179(11) 0.0440(5) Uiso 1.000000 GR
H6b H 0.8795(9) 1.2574(13) 0.3552(6) 0.0440(5) Uiso 1.000000 GR
H6c H 0.8625(10) 1.3823(4) 0.4881(5) 0.0440(5) Uiso 1.000000 GR
C14 C 0.8063(2) 0.9138(2) 0.37612(19) 0.0374(4) Uani 1.000000 .
H14a H 0.8173(15) 1.0181(4) 0.4215(10) 0.0560(6) Uiso 1.000000 GR
H14b H 0.6959(5) 0.8579(12) 0.3360(3) 0.0560(6) Uiso 1.000000 GR
H14c H 0.8624(11) 0.8912(15) 0.4436(8) 0.0560(6) Uiso 1.000000 GR
C15 C 0.8533(2) 0.72505(17) 0.20132(18) 0.0302(3) Uani 1.000000 .
H15a H 0.8888(2) 0.69535(17) 0.26951(18) 0.0362(4) Uiso 1.000000 R
H15b H 0.7424(2) 0.66886(17) 0.14501(18) 0.0362(4) Uiso 1.000000 R
C16 C 0.94752(19) 0.69245(17) 0.11111(17) 0.0285(3) Uani 1.000000 .
H16a H 0.93990(19) 0.58780(17) 0.06710(17) 0.0342(4) Uiso 1.000000 R
H16b H 1.05825(19) 0.74960(17) 0.16729(17) 0.0342(4) Uiso 1.000000 R
C17 C 0.96768(17) 0.68135(16) -0.08948(17) 0.0251(3) Uani 1.000000 .
H17a H 1.08007(17) 0.73597(16) -0.04405(17) 0.0301(4) Uiso 1.000000 R
H17b H 0.95642(17) 0.57637(16) -0.12765(17) 0.0301(4) Uiso 1.000000 R
C18 C 0.89471(17) 0.70794(16) -0.20272(16) 0.0249(3) Uani 1.000000 .
H18a H 0.78011(17) 0.66652(16) -0.23822(16) 0.0298(4) Uiso 1.000000 R
H18b H 0.93164(17) 0.65981(16) -0.27917(16) 0.0298(4) Uiso 1.000000 R
C19 C 0.8556(2) 0.8943(2) -0.2485(2) 0.0449(5) Uani 1.000000 .
H19a H 0.7434(2) 0.8612(16) -0.2700(13) 0.0673(8) Uiso 1.000000 GR
H19b H 0.8897(14) 0.9998(3) -0.2104(7) 0.0673(8) Uiso 1.000000 GR
H19c H 0.8782(15) 0.8449(14) -0.3324(7) 0.0673(8) Uiso 1.000000 GR
loop_
_atom_type_symbol
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_Cromer_Mann_a1
_atom_type_scat_Cromer_Mann_a2
_atom_type_scat_Cromer_Mann_a3
_atom_type_scat_Cromer_Mann_a4
_atom_type_scat_Cromer_Mann_b1
_atom_type_scat_Cromer_Mann_b2
_atom_type_scat_Cromer_Mann_b3
_atom_type_scat_Cromer_Mann_b4
_atom_type_scat_Cromer_Mann_c
_atom_type_scat_source
_atom_type_scat_dispersion_source
H 0.00000 0.00000 0.49300 0.32291 0.14019 0.04081 10.51090 26.12570 3.14236
57.79970 0.0030380000826
'International Tables Volume C Table 6.1.1.4 (pp. 500-502)'
'Henke, Gullikson and Davis, At. Data and Nucl. Data Tables, 1993, 54, 2'
C 0.00347 0.00161 2.31000 1.02000 1.58860 0.86500 20.84390 10.20750 0.56870
51.65120 0.215599998832
'International Tables Volume C Table 6.1.1.4 (pp. 500-502)'
'Henke, Gullikson and Davis, At. Data and Nucl. Data Tables, 1993, 54, 2'
K 0.21174 0.26561 8.21860 7.43980 1.05190 0.86590 12.79490 0.77480 213.18700
41.68410 1.42279994488
'International Tables Volume C Table 6.1.1.4 (pp. 500-502)'
'Henke, Gullikson and Davis, At. Data and Nucl. Data Tables, 1993, 54, 2'
O 0.01158 0.00611 3.04850 2.28680 1.54630 0.86700 13.27710 5.70110 0.32390
32.90890 0.250800013542
'International Tables Volume C Table 6.1.1.4 (pp. 500-502)'
'Henke, Gullikson and Davis, At. Data and Nucl. Data Tables, 1993, 54, 2'
N 0.00653 0.00323 12.21260 3.13220 2.01250 1.16630 0.00570 9.89330 28.99750
0.58260 -11.5290002823
'International Tables Volume C Table 6.1.1.4 (pp. 500-502)'
'Henke, Gullikson and Davis, At. Data and Nucl. Data Tables, 1993, 54, 2'
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
O2 K1 O1 58.25(3) . .
O3 K1 O1 87.23(3) 2_775 .
O3 K1 O1 111.28(3) . .
O3 K1 O2 58.70(3) . .
O3 K1 O2 86.31(3) 2_775 .
C2 K1 O1 149.48(3) 2_675 .
C2 K1 O2 126.74(3) 2_675 .
C2 K1 O3 121.79(3) 2_675 2_775
C2 K1 O3 91.55(3) 2_675 .
C1 K1 O1 151.68(3) 2_675 .
C1 K1 O1 85.69(3) . .
C1 K1 O2 147.94(3) 2_675 .
C1 K1 O2 117.91(3) . .
C1 K1 O3 101.95(3) 2_675 2_775
C1 K1 O3 96.75(3) 2_675 .
C1 K1 O3 148.82(3) . .
C1 K1 O3 145.15(4) . 2_775
C1 K1 C2 65.23(3) . 2_675
C1 K1 C2 25.27(3) 2_675 2_675
C3 K1 O1 125.83(3) 2_675 .
C3 K1 O1 103.41(3) . .
C3 K1 O2 160.86(4) . .
C3 K1 O2 112.78(3) 2_675 .
C3 K1 O3 146.74(3) 2_675 2_775
C3 K1 O3 139.99(3) . .
C3 K1 O3 101.40(3) 2_675 .
C3 K1 O3 99.01(3) . 2_775
C3 K1 C2 25.12(3) 2_675 2_675
C3 K1 C2 65.59(3) . 2_675
C3 K1 C1 47.66(3) 2_675 2_675
C3 K1 C1 49.09(3) 2_675 .
C3 K1 C1 49.00(3) . 2_675
C3 K1 C1 50.13(3) . .
N1 K1 O1 101.81(3) 2_675 .
N1 K1 O2 109.53(3) 2_675 .
N1 K1 O3 164.13(3) 2_675 2_775
N1 K1 O3 122.46(3) 2_675 .
N1 K1 C2 47.75(3) 2_675 2_675
N1 K1 C1 26.37(3) 2_675 .
N1 K1 C1 64.13(3) 2_675 2_675
N1 K1 C3 66.38(3) 2_675 .
N1 K1 C3 25.41(3) 2_675 2_675
C14 O1 K1 120.33(10) . .
C15 O1 K1 105.83(9) . .
C15 O1 C14 110.73(13) . .
C16 O2 K1 123.12(9) . .
C17 O2 K1 121.64(8) . .
C17 O2 C16 111.21(11) . .
C18 O3 K1 126.18(8) . 2_775
C18 O3 K1 99.08(8) . .
C19 O3 K1 101.20(9) . 2_775
C19 O3 K1 100.45(11) . .
C19 O3 C18 111.87(13) . .
C1 C2 K1 76.35(7) . 2_675
C3 C2 K1 76.69(7) . 2_675
C3 C2 C1 134.75(12) . .
C2 C1 K1 78.39(7) . 2_675
C2 C1 K1 76.34(7) . .
N1 C1 K1 73.93(7) 2_675 2_675
N1 C1 K1 79.64(7) 2_675 .
N1 C1 C2 134.91(12) 2_675 .
C8 C1 K1 130.88(8) . 2_675
C8 C1 K1 120.52(8) . .
C8 C1 C2 112.87(11) . .
C8 C1 N1 112.19(11) . 2_675
C2 C3 K1 75.66(7) . .
C2 C3 K1 78.19(7) . 2_675
N1 C3 K1 79.15(7) . .
N1 C3 K1 73.66(7) . 2_675
N1 C3 C2 133.84(12) . .
C4 C3 K1 121.68(8) . .
C4 C3 K1 130.40(8) . 2_675
C4 C3 C2 111.62(11) . .
C4 C3 N1 114.52(11) . .
C1 N1 K1 73.99(7) 2_675 2_675
C3 N1 K1 80.93(7) . 2_675
C3 N1 C1 136.48(12) . 2_675
C9 C8 C1 121.16(12) . .
C13 C8 C1 122.66(12) . .
C13 C8 C9 116.13(12) . .
C10 C9 C8 121.78(14) . .
C11 C10 C9 120.75(14) . .
C12 C11 C10 118.67(13) . .
C13 C12 C11 120.66(14) . .
C12 C13 C8 122.00(13) . .
C5 C4 C3 110.52(11) . .
C7 C4 C3 113.72(12) . .
C7 C4 C5 106.43(12) . .
C6 C4 C3 110.09(11) . .
C6 C4 C5 108.07(12) . .
C6 C4 C7 107.79(12) . .
C16 C15 O1 110.11(12) . .
C15 C16 O2 110.23(12) . .
C18 C17 O2 109.00(11) . .
C17 C18 O3 109.14(12) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
K1 O1 3.0410(12) .
K1 O2 2.7658(10) .
K1 O3 3.0893(13) .
K1 O3 2.8765(11) 2_775
K1 C2 3.1928(12) 2_675
K1 C1 3.0141(13) .
K1 C1 3.1674(13) 2_675
K1 C3 3.1742(13) 2_675
K1 C3 3.0338(13) .
K1 N1 3.0846(12) 2_675
O1 C14 1.427(2) .
O1 C15 1.4203(19) .
O2 C16 1.4273(18) .
O2 C17 1.4286(18) .
O3 C18 1.4273(17) .
O3 C19 1.422(2) .
C2 C1 1.3912(17) .
C2 C3 1.3847(17) .
C1 N1 1.3927(17) 2_675
C1 C8 1.5072(17) .
C3 N1 1.3794(18) .
C3 C4 1.5730(18) .
C8 C9 1.4119(19) .
C8 C13 1.4074(19) .
C9 C10 1.393(2) .
C10 C11 1.390(2) .
C11 C12 1.389(2) .
C12 C13 1.3936(19) .
C4 C5 1.5363(19) .
C4 C7 1.537(2) .
C4 C6 1.542(2) .
C15 C16 1.497(2) .
C17 C18 1.500(2) .
