#------------------------------------------------------------------------------
#$Date: 2021-06-05 20:26:56 +0300 (Sat, 05 Jun 2021) $
#$Revision: 265874 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/12/81/7128128.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_7128128
loop_
_publ_author_name
'Kunchur, Harish S.'
'Radhakrishna, Latchupatula'
'Pandey, Madhusudan K.'
'Balakrishna, Maravanji S.'
_publ_section_title
;
 Novel approach to benzo-fused 1,2-azaphospholene involving a
 Pd(II)-assisted tandem P-C bond cleavage and P-N bond formation reaction.
;
_journal_issue                   39
_journal_name_full
'Chemical communications (Cambridge, England)'
_journal_page_first              4835
_journal_page_last               4838
_journal_paper_doi               10.1039/d1cc01591e
_journal_volume                  57
_journal_year                    2021
_chemical_formula_moiety         'C37 H28 Cl N O P2 Pd'
_chemical_formula_sum            'C37 H28 Cl N O P2 Pd'
_chemical_formula_weight         706.39
_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
_atom_sites_solution_primary     dual
_audit_creation_date             2019-03-31
_audit_creation_method
;
Olex2 1.2
(compiled 2018.05.29 svn.r3508 for OlexSys, GUI svn.r5506)
;
_audit_update_record
;
2021-02-15 deposited with the CCDC.	2021-04-05 downloaded from the CCDC.
;
_cell_angle_alpha                91.809(2)
_cell_angle_beta                 95.505(2)
_cell_angle_gamma                115.634(2)
_cell_formula_units_Z            2
_cell_length_a                   9.6861(2)
_cell_length_b                   10.1225(2)
_cell_length_c                   17.8430(4)
_cell_measurement_reflns_used    20869
_cell_measurement_temperature    150
_cell_measurement_theta_max      30.4430
_cell_measurement_theta_min      2.2800
_cell_volume                     1564.79(6)
_computing_cell_refinement
'CrystalClear-SM Expert 2.0 r7 (Rigaku, 2011)'
_computing_data_collection
'CrystalClear-SM Expert 2.0 r7 (Rigaku, 2011)'
_computing_data_reduction
'CrystalClear-SM Expert 2.0 r7 (Rigaku, 2011)'
_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    'ShelXT (Sheldrick, 2015)'
_diffrn_ambient_temperature      150.0
_diffrn_detector                 CCD
_diffrn_detector_area_resol_mean 28.5714
_diffrn_detector_type            'Rigaku Saturn724+'
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_details
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  tₑₓₚ   ω     θ     κ     φ   Frames
#--------------------------------------------------------------------------
  1  ω   -110.00  70.00   0.50   10.00    --  -20.00   0.00-108.00  360
  2  ω    -78.00  19.00   0.50   10.00    --  -20.00 -72.00  36.00  194
  3  ω    -75.50  19.00   0.50   10.00    --  -20.00 -72.00-108.00  189
  4  ω    -73.00 -10.00   0.50   10.00    --  -20.00 -72.00-180.00  126
  5  ω    -30.00   0.00   0.50   10.00    --  -20.00  72.00 -36.00   60
  6  ω   -110.00  25.00   0.50   10.00    --  -20.00   0.00 -36.00  270
  7  ω   -110.00  19.00   0.50   10.00    --  -20.00 -72.00 -36.00  258
  8  ω    -71.00   2.00   0.50   10.00    --  -20.00 -72.00 108.00  146
  9  ω    -59.00  -0.50   0.50   10.00    --  -20.00  72.00-108.00  117
 10  ω     -9.00  21.50   0.50   10.00    --  -20.00  72.00  36.00   61
 11  ω   -110.00  70.00   0.50   10.00    --  -20.00   0.00  36.00  360
 12  ω    -59.00  70.00   0.50   10.00    --  -20.00  72.00-180.00  258
 13  ω    -59.00  70.00   0.50   10.00    --  -20.00  72.00 108.00  258
;
_diffrn_measurement_device       'AFC12 (Right): Kappa 3 circle'
_diffrn_measurement_device_type  'Rigaku Saturn724+ (2x2 bin mode)'
_diffrn_measurement_method       'profile data from ω-scans'
_diffrn_measurement_specimen_support 'Mitegen 50um'
_diffrn_orient_matrix_type
'CrysAlisPro convention (1999,Acta A55,543-557)'
_diffrn_orient_matrix_UB_11      -0.0368212000
_diffrn_orient_matrix_UB_12      0.0167774000
_diffrn_orient_matrix_UB_13      -0.0320819000
_diffrn_orient_matrix_UB_21      0.0468154000
_diffrn_orient_matrix_UB_22      -0.0162850000
_diffrn_orient_matrix_UB_23      -0.0233583000
_diffrn_orient_matrix_UB_31      -0.0561132000
_diffrn_orient_matrix_UB_32      -0.0743925000
_diffrn_orient_matrix_UB_33      -0.0055420000
_diffrn_radiation_collimation    0.3
_diffrn_radiation_monochromator  Confocal
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0812
_diffrn_reflns_av_unetI/netI     0.0412
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.998
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_l_max       21
_diffrn_reflns_limit_l_min       -21
_diffrn_reflns_number            37541
_diffrn_reflns_point_group_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.998
_diffrn_reflns_theta_full        24.999
_diffrn_reflns_theta_max         24.999
_diffrn_reflns_theta_min         2.435
_diffrn_source                   'Rotating Anode'
_diffrn_source_current           24.0
_diffrn_source_power             1.2
_diffrn_source_target            Mo
_diffrn_source_type              'Rotating Anode'
_diffrn_source_voltage           50.0
_exptl_absorpt_coefficient_mu    0.812
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.74310
_exptl_absorpt_correction_type   numerical
_exptl_absorpt_process_details
;
CrysAlisPro 1.171.38.46 (Rigaku Oxford Diffraction, 2015)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            yellow
_exptl_crystal_colour_primary    yellow
_exptl_crystal_density_diffrn    1.499
_exptl_crystal_description       block
_exptl_crystal_F_000             716
_exptl_crystal_size_max          0.125
_exptl_crystal_size_mid          0.085
_exptl_crystal_size_min          0.06
_refine_diff_density_max         0.628
_refine_diff_density_min         -0.593
_refine_diff_density_rms         0.113
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.039
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     388
_refine_ls_number_reflns         5497
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.039
_refine_ls_R_factor_all          0.0408
_refine_ls_R_factor_gt           0.0346
_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)+(0.0337P)²+1.1987P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0765
_refine_ls_wR_factor_ref         0.0799
_reflns_Friedel_coverage         0.000
_reflns_number_gt                4933
_reflns_number_total             5497
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d1cc01591e2.cif
_cod_data_source_block           compound-3
_cod_depositor_comments
'Adding full bibliography for 7128125--7128128.cif.'
_cod_database_code               7128128
_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_max   0.953
_shelx_estimated_absorpt_t_min   0.905
_reflns_odcompleteness_completeness 93.40
_reflns_odcompleteness_iscentric 1
_reflns_odcompleteness_theta     31.07
_olex2_refinement_description
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups
2.a Aromatic/amide H refined with riding coordinates:
 C24(H24), C10(H10), C9(H9), C29(H29), C5(H5), C34(H34), C33(H33), C35(H35),
 C27(H27), C37(H37), C6(H6), C30(H30), C31(H31), C21(H21), C11(H11), C12(H12),
 C4(H4), C15(H15), C36(H36), C13(H13), C28(H28), C16(H16), C3(H3), C22(H22),
 C23(H23), C18(H18), C17(H17), C19(H19)
;
_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 4.966
_oxdiff_exptl_absorpt_empirical_full_min 0.448
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
Pd1 Pd 0.29809(2) 0.40689(2) 0.28205(2) 0.02438(8) Uani 1 1 d . . . . .
P2 P 0.15981(8) 0.28563(8) 0.37490(4) 0.02361(17) Uani 1 1 d . . . . .
P1 P 0.40373(8) 0.47640(8) 0.17155(4) 0.02480(17) Uani 1 1 d . . . . .
Cl1 Cl 0.38720(11) 0.63932(9) 0.33714(5) 0.0482(2) Uani 1 1 d . . . . .
O1 O 0.1162(3) -0.0441(2) 0.20578(13) 0.0413(6) Uani 1 1 d . . . . .
N1 N 0.2017(3) 0.2038(3) 0.22352(14) 0.0279(5) Uani 1 1 d . . . . .
C24 C 0.2007(3) 0.3544(4) 0.03677(18) 0.0345(7) Uani 1 1 d . . . . .
H24 H 0.2659 0.4376 0.0130 0.041 Uiso 1 1 calc R . . . .
C25 C 0.2424(3) 0.3364(3) 0.11062(17) 0.0278(6) Uani 1 1 d . . . . .
C8 C -0.0412(3) 0.1734(3) 0.33971(16) 0.0271(6) Uani 1 1 d . . . . .
C10 C -0.2668(4) -0.0580(4) 0.3281(2) 0.0452(9) Uani 1 1 d . . . . .
H10 H -0.3174 -0.1573 0.3399 0.054 Uiso 1 1 calc R . . . .
C9 C -0.1156(3) 0.0279(3) 0.35796(19) 0.0368(8) Uani 1 1 d . . . . .
H9 H -0.0624 -0.0116 0.3907 0.044 Uiso 1 1 calc R . . . .
C32 C 0.5792(3) 0.4620(3) 0.15458(16) 0.0265(6) Uani 1 1 d . . . . .
C20 C 0.1497(3) 0.2126(3) 0.14640(17) 0.0283(7) Uani 1 1 d . . . . .
C29 C 0.4415(4) 0.9157(4) 0.09258(19) 0.0402(8) Uani 1 1 d . . . . .
H29 H 0.4478 1.0067 0.0768 0.048 Uiso 1 1 calc R . . . .
C5 C 0.3277(4) 0.0177(4) 0.4743(2) 0.0399(8) Uani 1 1 d . . . . .
H5 H 0.3606 0.0026 0.5239 0.048 Uiso 1 1 calc R . . . .
C26 C 0.4245(3) 0.6506(3) 0.13803(16) 0.0264(6) Uani 1 1 d . . . . .
C34 C 0.8540(4) 0.5527(4) 0.18202(19) 0.0415(8) Uani 1 1 d . . . . .
H34 H 0.9495 0.6215 0.2085 0.050 Uiso 1 1 calc R . . . .
C33 C 0.7187(4) 0.5605(4) 0.19432(18) 0.0368(8) Uani 1 1 d . . . . .
H33 H 0.7212 0.6334 0.2300 0.044 Uiso 1 1 calc R . . . .
C35 C 0.8506(4) 0.4455(4) 0.13154(19) 0.0413(8) Uani 1 1 d . . . . .
H35 H 0.9436 0.4399 0.1236 0.050 Uiso 1 1 calc R . . . .
C27 C 0.3084(3) 0.6937(3) 0.14983(17) 0.0323(7) Uani 1 1 d . . . . .
H27 H 0.2229 0.6316 0.1740 0.039 Uiso 1 1 calc R . . . .
C14 C 0.1669(3) 0.3716(3) 0.46689(16) 0.0277(6) Uani 1 1 d . . . . .
C37 C 0.5766(3) 0.3543(3) 0.10381(17) 0.0311(7) Uani 1 1 d . . . . .
H37 H 0.4817 0.2858 0.0767 0.037 Uiso 1 1 calc R . . . .
C6 C 0.2787(3) 0.1260(3) 0.46326(18) 0.0324(7) Uani 1 1 d . . . . .
H6 H 0.2763 0.1840 0.5055 0.039 Uiso 1 1 calc R . . . .
C30 C 0.5570(4) 0.8758(3) 0.08112(19) 0.0388(8) Uani 1 1 d . . . . .
H30 H 0.6426 0.9393 0.0575 0.047 Uiso 1 1 calc R . . . .
C31 C 0.5493(3) 0.7431(3) 0.10389(17) 0.0321(7) Uani 1 1 d . . . . .
H31 H 0.6297 0.7161 0.0960 0.038 Uiso 1 1 calc R . . . .
C21 C 0.0106(3) 0.1109(3) 0.10681(19) 0.0353(7) Uani 1 1 d . . . . .
H21 H -0.0557 0.0276 0.1302 0.042 Uiso 1 1 calc R . . . .
C11 C -0.3445(4) -0.0011(4) 0.2815(2) 0.0490(10) Uani 1 1 d . . . . .
H11 H -0.4491 -0.0606 0.2617 0.059 Uiso 1 1 calc R . . . .
C12 C -0.2718(4) 0.1415(5) 0.2632(2) 0.0532(10) Uani 1 1 d . . . . .
H12 H -0.3263 0.1807 0.2311 0.064 Uiso 1 1 calc R . . . .
C4 C 0.3284(4) -0.0679(4) 0.4132(2) 0.0428(8) Uani 1 1 d . . . . .
H4 H 0.3617 -0.1425 0.4209 0.051 Uiso 1 1 calc R . . . .
C15 C 0.3043(4) 0.4845(4) 0.49922(18) 0.0375(8) Uani 1 1 d . . . . .
H15 H 0.3910 0.5196 0.4718 0.045 Uiso 1 1 calc R . . . .
C36 C 0.7128(4) 0.3464(4) 0.09253(19) 0.0385(8) Uani 1 1 d . . . . .
H36 H 0.7108 0.2724 0.0578 0.046 Uiso 1 1 calc R . . . .
C13 C -0.1186(4) 0.2287(4) 0.29135(19) 0.0400(8) Uani 1 1 d . . . . .
H13 H -0.0675 0.3264 0.2772 0.048 Uiso 1 1 calc R . . . .
C28 C 0.3168(4) 0.8252(4) 0.12670(18) 0.0377(8) Uani 1 1 d . . . . .
H28 H 0.2370 0.8531 0.1343 0.045 Uiso 1 1 calc R . . . .
C16 C 0.3170(4) 0.5469(4) 0.57109(19) 0.0452(9) Uani 1 1 d . . . . .
H16 H 0.4121 0.6238 0.5933 0.054 Uiso 1 1 calc R . . . .
C3 C 0.2813(4) -0.0470(3) 0.3411(2) 0.0371(8) Uani 1 1 d . . . . .
H3 H 0.2803 -0.1089 0.2997 0.045 Uiso 1 1 calc R . . . .
C22 C -0.0300(4) 0.1319(4) 0.03349(19) 0.0413(8) Uani 1 1 d . . . . .
H22 H -0.1253 0.0624 0.0070 0.050 Uiso 1 1 calc R . . . .
C23 C 0.0639(4) 0.2512(4) -0.00260(19) 0.0426(8) Uani 1 1 d . . . . .
H23 H 0.0351 0.2623 -0.0536 0.051 Uiso 1 1 calc R . . . .
C2 C 0.2353(3) 0.0639(3) 0.32812(18) 0.0301(7) Uani 1 1 d . . . . .
C1 C 0.1784(3) 0.0718(3) 0.24730(18) 0.0318(7) Uani 1 1 d . . . . .
C18 C 0.0523(5) 0.3857(4) 0.5781(2) 0.0557(10) Uani 1 1 d . . . . .
H18 H -0.0346 0.3525 0.6054 0.067 Uiso 1 1 calc R . . . .
C7 C 0.2331(3) 0.1507(3) 0.39126(17) 0.0268(6) Uani 1 1 d . . . . .
C17 C 0.1909(4) 0.4966(4) 0.6099(2) 0.0503(10) Uani 1 1 d . . . . .
H17 H 0.1992 0.5389 0.6594 0.060 Uiso 1 1 calc R . . . .
C19 C 0.0399(4) 0.3227(4) 0.50609(19) 0.0416(8) Uani 1 1 d . . . . .
H19 H -0.0556 0.2462 0.4838 0.050 Uiso 1 1 calc 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'
Cl Cl 0.1484 0.1585 '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'
P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Pd Pd -0.9988 1.0072 '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
P2 Pd1 P1 166.24(3) . . ?
P2 Pd1 Cl1 97.65(3) . . ?
Cl1 Pd1 P1 95.62(3) . . ?
N1 Pd1 P2 84.61(7) . . ?
N1 Pd1 P1 81.79(7) . . ?
N1 Pd1 Cl1 173.27(7) . . ?
C8 P2 Pd1 111.84(10) . . ?
C8 P2 C14 107.69(13) . . ?
C14 P2 Pd1 124.15(10) . . ?
C7 P2 Pd1 101.23(9) . . ?
C7 P2 C8 102.95(13) . . ?
C7 P2 C14 106.60(14) . . ?
C25 P1 Pd1 95.47(10) . . ?
C25 P1 C32 108.78(13) . . ?
C32 P1 Pd1 120.62(10) . . ?
C26 P1 Pd1 118.74(10) . . ?
C26 P1 C25 105.56(14) . . ?
C26 P1 C32 105.81(13) . . ?
C20 N1 Pd1 110.87(18) . . ?
C1 N1 Pd1 130.0(2) . . ?
C1 N1 C20 119.1(2) . . ?
C25 C24 C23 120.1(3) . . ?
C24 C25 P1 123.6(2) . . ?
C24 C25 C20 121.0(3) . . ?
C20 C25 P1 115.0(2) . . ?
C9 C8 P2 120.3(2) . . ?
C13 C8 P2 119.9(2) . . ?
C13 C8 C9 119.7(3) . . ?
C11 C10 C9 120.5(3) . . ?
C10 C9 C8 119.6(3) . . ?
C33 C32 P1 119.0(2) . . ?
C37 C32 P1 121.7(2) . . ?
C37 C32 C33 119.3(3) . . ?
C25 C20 N1 117.1(2) . . ?
C21 C20 N1 124.3(3) . . ?
C21 C20 C25 118.5(3) . . ?
C30 C29 C28 120.6(3) . . ?
C4 C5 C6 119.5(3) . . ?
C27 C26 P1 117.3(2) . . ?
C31 C26 P1 123.6(2) . . ?
C31 C26 C27 119.0(3) . . ?
C35 C34 C33 120.2(3) . . ?
C34 C33 C32 120.1(3) . . ?
C34 C35 C36 120.1(3) . . ?
C28 C27 C26 120.7(3) . . ?
C15 C14 P2 118.9(2) . . ?
C15 C14 C19 119.7(3) . . ?
C19 C14 P2 121.4(2) . . ?
C32 C37 C36 120.0(3) . . ?
C5 C6 C7 120.8(3) . . ?
C29 C30 C31 120.4(3) . . ?
C26 C31 C30 119.7(3) . . ?
C22 C21 C20 119.6(3) . . ?
C10 C11 C12 120.1(3) . . ?
C11 C12 C13 120.3(3) . . ?
C5 C4 C3 120.9(3) . . ?
C14 C15 C16 120.7(3) . . ?
C35 C36 C37 120.2(3) . . ?
C8 C13 C12 119.9(3) . . ?
C29 C28 C27 119.5(3) . . ?
C17 C16 C15 119.3(3) . . ?
C4 C3 C2 120.8(3) . . ?
C21 C22 C23 121.9(3) . . ?
C22 C23 C24 118.9(3) . . ?
C3 C2 C1 116.2(3) . . ?
C3 C2 C7 118.2(3) . . ?
C7 C2 C1 125.4(3) . . ?
O1 C1 N1 123.5(3) . . ?
O1 C1 C2 117.8(3) . . ?
N1 C1 C2 118.7(3) . . ?
C17 C18 C19 119.8(3) . . ?
C6 C7 P2 122.0(2) . . ?
C6 C7 C2 119.9(3) . . ?
C2 C7 P2 118.1(2) . . ?
C16 C17 C18 120.9(3) . . ?
C14 C19 C18 119.7(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
Pd1 P2 2.2753(8) . ?
Pd1 P1 2.2979(8) . ?
Pd1 Cl1 2.2762(8) . ?
Pd1 N1 2.051(2) . ?
P2 C8 1.812(3) . ?
P2 C14 1.815(3) . ?
P2 C7 1.810(3) . ?
P1 C25 1.815(3) . ?
P1 C32 1.820(3) . ?
P1 C26 1.814(3) . ?
O1 C1 1.240(4) . ?
N1 C20 1.439(4) . ?
N1 C1 1.345(4) . ?
C24 C25 1.382(4) . ?
C24 C23 1.385(4) . ?
C25 C20 1.404(4) . ?
C8 C9 1.397(4) . ?
C8 C13 1.375(4) . ?
C10 C9 1.380(4) . ?
C10 C11 1.369(5) . ?
C32 C33 1.389(4) . ?
C32 C37 1.386(4) . ?
C20 C21 1.395(4) . ?
C29 C30 1.373(5) . ?
C29 C28 1.374(5) . ?
C5 C6 1.382(4) . ?
C5 C4 1.373(5) . ?
C26 C27 1.402(4) . ?
C26 C31 1.381(4) . ?
C34 C33 1.385(4) . ?
C34 C35 1.375(5) . ?
C35 C36 1.375(5) . ?
C27 C28 1.376(4) . ?
C14 C15 1.380(4) . ?
C14 C19 1.382(4) . ?
C37 C36 1.389(4) . ?
C6 C7 1.384(4) . ?
C30 C31 1.389(4) . ?
C21 C22 1.380(5) . ?
C11 C12 1.371(5) . ?
C12 C13 1.389(5) . ?
C4 C3 1.378(5) . ?
C15 C16 1.382(4) . ?
C16 C17 1.370(5) . ?
C3 C2 1.394(4) . ?
C22 C23 1.383(5) . ?
C2 C1 1.511(4) . ?
C2 C7 1.415(4) . ?
C18 C17 1.376(5) . ?
C18 C19 1.387(5) . ?
