#------------------------------------------------------------------------------
#$Date: 2022-04-09 02:06:08 +0300 (Sat, 09 Apr 2022) $
#$Revision: 274442 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/70/99/7709955.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_7709955
loop_
_publ_author_name
'Mondal, Dipanjan'
'Sardar, Gopa'
'Kabra, Dinesh'
'Balakrishna, Maravanji Shivaramaiah'
_publ_section_title
;
 2,2’-Bipyridine derived doubly BN fused
 bisphosphine-chalcogenides, [C5H3N(BF2){NCH2P(E)Ph2}]2 (E = O, S, Se):
 Tuning of structural features and photophysical studies
;
_journal_name_full               'Dalton Transactions'
_journal_paper_doi               10.1039/D2DT00287F
_journal_year                    2022
_chemical_formula_moiety         'C36 H32 N4 O2 P2'
_chemical_formula_sum            'C36 H32 N4 O2 P2'
_chemical_formula_weight         614.59
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_Hall           '-P 2ybc'
_space_group_name_H-M_alt        'P 1 21/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     dual
_audit_creation_date             2021-07-27
_audit_creation_method
;
Olex2 1.2-ac4
(compiled 2018.05.17 svn.r3504 for Rigaku Oxford Diffraction, GUI svn.r5492)
;
_audit_update_record
;
2021-08-13 deposited with the CCDC.	2022-04-07 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 90.335(3)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   19.2473(6)
_cell_length_b                   14.8930(5)
_cell_length_c                   10.3914(4)
_cell_measurement_reflns_used    9026
_cell_measurement_temperature    150
_cell_measurement_theta_max      30.7450
_cell_measurement_theta_min      2.1440
_cell_volume                     2978.64(18)
_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    -59.50   4.50   0.50   10.00    --  -20.00 -72.00-180.00  128
;
_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      -0.0088171000
_diffrn_orient_matrix_UB_12      -0.0170772000
_diffrn_orient_matrix_UB_13      -0.0616820000
_diffrn_orient_matrix_UB_21      -0.0356867000
_diffrn_orient_matrix_UB_22      0.0073559000
_diffrn_orient_matrix_UB_23      0.0129603000
_diffrn_orient_matrix_UB_31      0.0025442000
_diffrn_orient_matrix_UB_32      0.0438590000
_diffrn_orient_matrix_UB_33      -0.0261864000
_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  0.0397
_diffrn_reflns_av_unetI/netI     0.0547
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.998
_diffrn_reflns_limit_h_max       24
_diffrn_reflns_limit_h_min       -24
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -19
_diffrn_reflns_limit_l_max       13
_diffrn_reflns_limit_l_min       -9
_diffrn_reflns_number            15831
_diffrn_reflns_point_group_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.998
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         26.999
_diffrn_reflns_theta_min         2.116
_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    0.188
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.49714
_exptl_absorpt_correction_type   numerical
_exptl_absorpt_process_details
;
CrysAlisPro 1.171.40.15 (Rigaku Oxford Diffraction, 2018)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            orange
_exptl_crystal_colour_primary    orange
_exptl_crystal_density_diffrn    1.371
_exptl_crystal_description       block
_exptl_crystal_F_000             1288
_exptl_crystal_size_max          0.156
_exptl_crystal_size_mid          0.089
_exptl_crystal_size_min          0.043
_refine_diff_density_max         0.444
_refine_diff_density_min         -0.373
_refine_diff_density_rms         0.063
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.030
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     397
_refine_ls_number_reflns         6484
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.030
_refine_ls_R_factor_all          0.0666
_refine_ls_R_factor_gt           0.0494
_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)+(0.0468P)²+1.6468P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1111
_refine_ls_wR_factor_ref         0.1237
_reflns_Friedel_coverage         0.000
_reflns_number_gt                5115
_reflns_number_total             6484
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d2dt00287f2.cif
_cod_data_source_block           comp_2
_cod_database_code               7709955
_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   0.992
_shelx_estimated_absorpt_t_min   0.971
_reflns_odcompleteness_completeness 89.86
_reflns_odcompleteness_iscentric 1
_reflns_odcompleteness_theta     31.07
_olex2_refinement_description
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups, All N(H) groups
2.a Secondary CH2 refined with riding coordinates:
 C24(H24A,H24B), C11(H11A,H11B)
2.b Aromatic/amide H refined with riding coordinates:
 N4(H4), N3(H3), C8(H8), C5(H5), C10(H10), C9(H9), C4(H4A), C17(H17), C3(H3A),
 C32(H32), C15(H15), C36(H36), C16(H16), C21(H21), C35(H35), C14(H14), C19(H19),
  C23(H23), C13(H13), C22(H22), C20(H20), C33(H33), C34(H34), C29(H29),
 C30(H30), C27(H27), C28(H28), C26(H26)
;
_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 1.324
_oxdiff_exptl_absorpt_empirical_full_min 0.745
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y-1/2, z-1/2'
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
P2 P 0.56771(3) 0.72133(3) 0.30038(5) 0.02205(14) Uani 1 1 d . . . . .
P1 P 0.92646(3) 0.39060(3) 0.80804(5) 0.02363(14) Uani 1 1 d . . . . .
O2 O 0.56485(8) 0.66342(10) 0.18384(14) 0.0297(4) Uani 1 1 d . . . . .
O1 O 0.94477(8) 0.48564(9) 0.83465(16) 0.0341(4) Uani 1 1 d . . . . .
N2 N 0.70815(9) 0.42156(11) 0.64464(17) 0.0240(4) Uani 1 1 d . . . . .
N4 N 0.63041(9) 0.60434(11) 0.45729(17) 0.0229(4) Uani 1 1 d . . . . .
H4 H 0.6642 0.6150 0.4028 0.027 Uiso 1 1 calc R . . . .
N1 N 0.75412(9) 0.55481(11) 0.36875(17) 0.0245(4) Uani 1 1 d . . . . .
N3 N 0.84317(9) 0.41407(12) 0.60641(17) 0.0281(4) Uani 1 1 d . . . . .
H3 H 0.8092 0.4105 0.6626 0.034 Uiso 1 1 calc R . . . .
C7 C 0.63904(10) 0.53764(12) 0.54601(19) 0.0188(4) Uani 1 1 d . . . . .
C6 C 0.70220(10) 0.48729(12) 0.55600(19) 0.0198(4) Uani 1 1 d . . . . .
C1 C 0.76367(10) 0.50142(12) 0.47190(19) 0.0194(4) Uani 1 1 d . . . . .
C2 C 0.83061(10) 0.46102(12) 0.49548(19) 0.0211(4) Uani 1 1 d . . . . .
C8 C 0.58537(10) 0.51576(13) 0.6317(2) 0.0221(4) Uani 1 1 d . . . . .
H8 H 0.5431 0.5486 0.6291 0.027 Uiso 1 1 calc R . . . .
C5 C 0.80535(12) 0.56816(14) 0.2846(2) 0.0292(5) Uani 1 1 d . . . . .
H5 H 0.7974 0.6078 0.2143 0.035 Uiso 1 1 calc R . . . .
C24 C 0.56817(10) 0.65825(13) 0.4490(2) 0.0219(4) Uani 1 1 d . . . . .
H24A H 0.5663 0.7000 0.5230 0.026 Uiso 1 1 calc R . . . .
H24B H 0.5267 0.6189 0.4523 0.026 Uiso 1 1 calc R . . . .
C10 C 0.65589(11) 0.40177(14) 0.7231(2) 0.0277(5) Uani 1 1 d . . . . .
H10 H 0.6619 0.3547 0.7838 0.033 Uiso 1 1 calc R . . . .
C9 C 0.59343(11) 0.44711(13) 0.7196(2) 0.0248(4) Uani 1 1 d . . . . .
H9 H 0.5568 0.4314 0.7763 0.030 Uiso 1 1 calc R . . . .
C4 C 0.86914(11) 0.52685(14) 0.2955(2) 0.0281(5) Uani 1 1 d . . . . .
H4A H 0.9037 0.5352 0.2317 0.034 Uiso 1 1 calc R . . . .
C17 C 0.99943(11) 0.22594(14) 0.8097(2) 0.0285(5) Uani 1 1 d . . . . .
H17 H 0.9706 0.2073 0.7402 0.034 Uiso 1 1 calc R . . . .
C3 C 0.88158(11) 0.47315(14) 0.4012(2) 0.0259(5) Uani 1 1 d . . . . .
H3A H 0.9252 0.4440 0.4103 0.031 Uiso 1 1 calc R . . . .
C12 C 0.99268(10) 0.31267(13) 0.8589(2) 0.0243(4) Uani 1 1 d . . . . .
C18 C 0.85014(11) 0.35447(13) 0.8943(2) 0.0251(5) Uani 1 1 d . . . . .
C31 C 0.49496(10) 0.79839(13) 0.3071(2) 0.0241(4) Uani 1 1 d . . . . .
C32 C 0.48466(11) 0.86005(14) 0.4066(2) 0.0302(5) Uani 1 1 d . . . . .
H32 H 0.5120 0.8564 0.4829 0.036 Uiso 1 1 calc R . . . .
C15 C 1.08871(12) 0.19430(16) 0.9640(2) 0.0374(6) Uani 1 1 d . . . . .
H15 H 1.1213 0.1538 1.0009 0.045 Uiso 1 1 calc R . . . .
C36 C 0.45199(11) 0.80208(15) 0.1995(2) 0.0285(5) Uani 1 1 d . . . . .
H36 H 0.4566 0.7584 0.1335 0.034 Uiso 1 1 calc R . . . .
C16 C 1.04768(12) 0.16663(15) 0.8613(2) 0.0348(5) Uani 1 1 d . . . . .
H16 H 1.0525 0.1079 0.8268 0.042 Uiso 1 1 calc R . . . .
C11 C 0.90818(11) 0.36976(16) 0.6385(2) 0.0303(5) Uani 1 1 d . . . . .
H11A H 0.9462 0.3939 0.5848 0.036 Uiso 1 1 calc R . . . .
H11B H 0.9043 0.3044 0.6225 0.036 Uiso 1 1 calc R . . . .
C21 C 0.73841(13) 0.29786(17) 1.0408(3) 0.0401(6) Uani 1 1 d . . . . .
H21 H 0.6997 0.2788 1.0902 0.048 Uiso 1 1 calc R . . . .
C35 C 0.40228(11) 0.86941(16) 0.1879(3) 0.0363(6) Uani 1 1 d . . . . .
H35 H 0.3735 0.8721 0.1135 0.044 Uiso 1 1 calc R . . . .
C25 C 0.64641(11) 0.78722(13) 0.3061(2) 0.0253(5) Uani 1 1 d . . . . .
C14 C 1.08277(12) 0.27960(17) 1.0129(2) 0.0365(6) Uani 1 1 d . . . . .
H14 H 1.1116 0.2977 1.0828 0.044 Uiso 1 1 calc R . . . .
C19 C 0.81583(12) 0.27490(14) 0.8643(2) 0.0313(5) Uani 1 1 d . . . . .
H19 H 0.8305 0.2396 0.7933 0.038 Uiso 1 1 calc R . . . .
C23 C 0.82803(12) 0.40459(16) 0.9986(2) 0.0346(5) Uani 1 1 d . . . . .
H23 H 0.8512 0.4590 1.0198 0.042 Uiso 1 1 calc R . . . .
C13 C 1.03515(11) 0.33954(15) 0.9611(2) 0.0300(5) Uani 1 1 d . . . . .
H13 H 1.0315 0.3986 0.9950 0.036 Uiso 1 1 calc R . . . .
C22 C 0.77265(13) 0.37614(17) 1.0720(3) 0.0419(6) Uani 1 1 d . . . . .
H22 H 0.7582 0.4106 1.1440 0.050 Uiso 1 1 calc R . . . .
C20 C 0.76031(12) 0.24742(15) 0.9382(3) 0.0359(6) Uani 1 1 d . . . . .
H20 H 0.7370 0.1930 0.9178 0.043 Uiso 1 1 calc R . . . .
C33 C 0.43452(12) 0.92661(15) 0.3940(3) 0.0378(6) Uani 1 1 d . . . . .
H33 H 0.4276 0.9685 0.4617 0.045 Uiso 1 1 calc R . . . .
C34 C 0.39477(12) 0.93200(16) 0.2837(3) 0.0393(6) Uani 1 1 d . . . . .
H34 H 0.3620 0.9793 0.2738 0.047 Uiso 1 1 calc R . . . .
C29 C 0.75649(13) 0.82163(19) 0.2101(3) 0.0491(7) Uani 1 1 d . . . . .
H29 H 0.7898 0.8110 0.1447 0.059 Uiso 1 1 calc R . . . .
C30 C 0.69508(12) 0.77255(16) 0.2113(2) 0.0357(5) Uani 1 1 d . . . . .
H30 H 0.6866 0.7287 0.1466 0.043 Uiso 1 1 calc R . . . .
C27 C 0.72162(13) 0.89962(17) 0.3986(3) 0.0456(7) Uani 1 1 d . . . . .
H27 H 0.7308 0.9432 0.4632 0.055 Uiso 1 1 calc R . . . .
C28 C 0.76925(13) 0.88536(18) 0.3027(3) 0.0492(8) Uani 1 1 d . . . . .
H28 H 0.8109 0.9195 0.3006 0.059 Uiso 1 1 calc R . . . .
C26 C 0.66015(12) 0.85062(15) 0.4016(2) 0.0362(6) Uani 1 1 d . . . . .
H26 H 0.6276 0.8603 0.4686 0.043 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'
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'
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
O2 P2 C24 113.22(9) . . ?
O2 P2 C31 111.95(9) . . ?
O2 P2 C25 111.66(10) . . ?
C24 P2 C31 107.22(10) . . ?
C25 P2 C24 104.73(9) . . ?
C25 P2 C31 107.63(9) . . ?
O1 P1 C12 113.15(9) . . ?
O1 P1 C18 112.60(10) . . ?
O1 P1 C11 112.78(10) . . ?
C12 P1 C18 103.80(9) . . ?
C12 P1 C11 107.84(10) . . ?
C18 P1 C11 106.02(10) . . ?
C10 N2 C6 121.16(18) . . ?
C7 N4 C24 122.85(17) . . ?
C5 N1 C1 120.73(18) . . ?
C2 N3 C11 125.01(18) . . ?
N4 C7 C6 122.01(18) . . ?
N4 C7 C8 120.65(17) . . ?
C8 C7 C6 117.34(17) . . ?
N2 C6 C7 119.90(18) . . ?
N2 C6 C1 116.01(17) . . ?
C7 C6 C1 124.09(17) . . ?
N1 C1 C6 116.44(16) . . ?
N1 C1 C2 119.96(18) . . ?
C2 C1 C6 123.60(17) . . ?
N3 C2 C1 120.64(18) . . ?
N3 C2 C3 122.25(18) . . ?
C3 C2 C1 117.10(18) . . ?
C9 C8 C7 120.73(18) . . ?
N1 C5 C4 122.7(2) . . ?
N4 C24 P2 109.86(14) . . ?
N2 C10 C9 122.47(19) . . ?
C10 C9 C8 118.4(2) . . ?
C5 C4 C3 118.4(2) . . ?
C16 C17 C12 120.8(2) . . ?
C4 C3 C2 120.85(19) . . ?
C17 C12 P1 123.82(16) . . ?
C13 C12 P1 116.68(16) . . ?
C13 C12 C17 119.26(19) . . ?
C19 C18 P1 121.92(17) . . ?
C23 C18 P1 118.81(17) . . ?
C23 C18 C19 119.1(2) . . ?
C32 C31 P2 123.89(16) . . ?
C36 C31 P2 116.80(17) . . ?
C36 C31 C32 118.91(19) . . ?
C33 C32 C31 120.0(2) . . ?
C14 C15 C16 120.8(2) . . ?
C31 C36 C35 120.3(2) . . ?
C15 C16 C17 119.0(2) . . ?
N3 C11 P1 107.85(15) . . ?
C20 C21 C22 119.8(2) . . ?
C34 C35 C36 120.2(2) . . ?
C30 C25 P2 117.58(18) . . ?
C30 C25 C26 119.2(2) . . ?
C26 C25 P2 123.18(17) . . ?
C15 C14 C13 120.6(2) . . ?
C20 C19 C18 119.7(2) . . ?
C22 C23 C18 120.6(2) . . ?
C14 C13 C12 119.6(2) . . ?
C21 C22 C23 120.0(2) . . ?
C21 C20 C19 120.8(2) . . ?
C34 C33 C32 120.2(2) . . ?
C35 C34 C33 120.3(2) . . ?
C28 C29 C30 120.4(3) . . ?
C25 C30 C29 120.3(2) . . ?
C28 C27 C26 120.4(3) . . ?
C27 C28 C29 119.9(2) . . ?
C27 C26 C25 119.8(2) . . ?
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
P2 O2 1.4876(15) . ?
P2 C24 1.808(2) . ?
P2 C31 1.812(2) . ?
P2 C25 1.806(2) . ?
P1 O1 1.4842(15) . ?
P1 C12 1.801(2) . ?
P1 C18 1.807(2) . ?
P1 C11 1.821(2) . ?
N2 C6 1.349(2) . ?
N2 C10 1.332(3) . ?
N4 C7 1.365(2) . ?
N4 C24 1.444(2) . ?
N1 C1 1.346(2) . ?
N1 C5 1.337(3) . ?
N3 C2 1.369(3) . ?
N3 C11 1.452(3) . ?
C7 C6 1.432(3) . ?
C7 C8 1.406(3) . ?
C6 C1 1.490(3) . ?
C1 C2 1.442(3) . ?
C2 C3 1.402(3) . ?
C8 C9 1.379(3) . ?
C5 C4 1.377(3) . ?
C10 C9 1.379(3) . ?
C4 C3 1.379(3) . ?
C17 C12 1.395(3) . ?
C17 C16 1.387(3) . ?
C12 C13 1.395(3) . ?
C18 C19 1.391(3) . ?
C18 C23 1.385(3) . ?
C31 C32 1.398(3) . ?
C31 C36 1.388(3) . ?
C32 C33 1.389(3) . ?
C15 C16 1.386(3) . ?
C15 C14 1.373(3) . ?
C36 C35 1.391(3) . ?
C21 C22 1.377(4) . ?
C21 C20 1.373(4) . ?
C35 C34 1.372(4) . ?
C25 C30 1.381(3) . ?
C25 C26 1.394(3) . ?
C14 C13 1.386(3) . ?
C19 C20 1.382(3) . ?
C23 C22 1.381(3) . ?
C33 C34 1.377(4) . ?
C29 C30 1.390(3) . ?
C29 C28 1.373(4) . ?
C27 C28 1.374(4) . ?
C27 C26 1.391(3) . ?
