#------------------------------------------------------------------------------
#$Date: 2021-06-05 21:44:57 +0300 (Sat, 05 Jun 2021) $
#$Revision: 266055 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/70/66/7706694.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_7706694
loop_
_publ_author_name
'Martínez-Junquera, Mónica'
'Lalinde, Elena'
'Moreno, M. Teresa'
'Alfaro-Arnedo, Elvira'
'López, Icíar P'
'Larráyoz, Ignacio M'
'Pichel, José G'
_publ_section_title
;
 Luminescent cyclometalated platinum(ii) complexes with acyclic
 diaminocarbene ligands: structural, photophysical and biological
 properties.
;
_journal_issue                   13
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              4539
_journal_page_last               4554
_journal_paper_doi               10.1039/d1dt00480h
_journal_volume                  50
_journal_year                    2021
_chemical_formula_moiety         'C30 H30 Cl F2 N3 O Pt'
_chemical_formula_sum            'C30 H30 Cl F2 N3 O Pt'
_chemical_formula_weight         717.11
_space_group_IT_number           14
_space_group_name_Hall           '-P 2ybc'
_space_group_name_H-M_alt        'P 1 21/c 1'
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      14
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_atom_sites_solution_hydrogens   mixed
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   direct
_audit_conform_dict_location     ftp://ftp.iucr.org/pub/cif_core.dic
_audit_conform_dict_name         cif_core.dic
_audit_conform_dict_version      2.4.3
_audit_creation_date             2020-11-30T18:05:56-00:00
_audit_creation_method           'WinGX routine CIF_UPDATE'
_audit_update_record
;
2021-02-09 deposited with the CCDC.	2021-02-25 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 104.750(7)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   14.062(3)
_cell_length_b                   10.476(2)
_cell_length_c                   19.364(4)
_cell_measurement_reflns_used    9237
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      27.89
_cell_measurement_theta_min      3.02
_cell_measurement_wavelength     0.71076
_cell_volume                     2758.6(10)
_computing_cell_refinement       'SAINT V8.40A integration software'
_computing_data_collection       'Bruker APEX2 software'
_computing_data_reduction        'SORTAV (Blessing, 1995)'
_computing_molecular_graphics    'Ortep for Windows (Farrugia, 2012)'
_computing_publication_material  'WinGX publication routines (Farrugia, 2012)'
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_structure_solution    'SIR-92 (Altomare et al., 1994)'
_diffrn_ambient_temperature      100(2)
_diffrn_detector                 'APEX-II CCD'
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device       'κ-geometry diffractometer'
_diffrn_measurement_device_type  'Bruker APEX-II'
_diffrn_measurement_method       'φ or ω oscillation scans'
_diffrn_orient_matrix_UB_11      -0.034611
_diffrn_orient_matrix_UB_12      0.010132
_diffrn_orient_matrix_UB_13      -0.051633
_diffrn_orient_matrix_UB_21      0.060863
_diffrn_orient_matrix_UB_22      0.037902
_diffrn_orient_matrix_UB_23      -0.00923
_diffrn_orient_matrix_UB_31      0.02248
_diffrn_orient_matrix_UB_32      -0.087018
_diffrn_orient_matrix_UB_33      -0.010032
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71076
_diffrn_reflns_av_R_equivalents  0.0204
_diffrn_reflns_av_unetI/netI     0.0087
_diffrn_reflns_Laue_measured_fraction_full 0.997
_diffrn_reflns_Laue_measured_fraction_max 0.998
_diffrn_reflns_limit_h_max       18
_diffrn_reflns_limit_h_min       -18
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       25
_diffrn_reflns_limit_l_min       -25
_diffrn_reflns_number            138786
_diffrn_reflns_point_group_measured_fraction_full 0.997
_diffrn_reflns_point_group_measured_fraction_max 0.998
_diffrn_reflns_theta_full        25.243
_diffrn_reflns_theta_max         27.903
_diffrn_reflns_theta_min         2.939
_diffrn_source                   'sealed x-ray tube'
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    5.225
_exptl_absorpt_correction_T_max  0.746
_exptl_absorpt_correction_T_min  0.596
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
SADABS-2016/2 - Bruker AXS area detector scaling and absorption correction
;
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.727
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       Block
_exptl_crystal_F_000             1408
_exptl_crystal_size_max          0.275
_exptl_crystal_size_mid          0.208
_exptl_crystal_size_min          0.18
_refine_diff_density_max         0.653
_refine_diff_density_min         -0.931
_refine_diff_density_rms         0.083
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.063
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_constraints    0
_refine_ls_number_parameters     351
_refine_ls_number_reflns         6580
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.063
_refine_ls_R_factor_all          0.0138
_refine_ls_R_factor_gt           0.0137
_refine_ls_shift/su_max          0.006
_refine_ls_shift/su_mean         0
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0147P)²+4.4446P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0359
_refine_ls_wR_factor_ref         0.036
_reflns_Friedel_coverage         0
_reflns_number_gt                6532
_reflns_number_total             6580
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d1dt00480h2.cif
_cod_data_source_block           3b
_cod_depositor_comments
'Adding full bibliography for 7706693--7706694.cif.'
_cod_original_cell_volume        2758.7(10)
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               7706694
_shelx_estimated_absorpt_t_min   0.328
_shelx_estimated_absorpt_t_max   0.453
loop_
_symmetry_equiv_pos_as_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
Pt1 Pt 0.62916(2) 0.42952(2) 0.63295(2) 0.00953(3) Uani 1 1 d . . . . .
Cl1 Cl 0.48500(3) 0.33635(4) 0.55845(2) 0.01407(8) Uani 1 1 d . . . . .
F1 F 0.76522(10) 0.73248(13) 0.85086(7) 0.0277(3) Uani 1 1 d . . . . .
F2 F 1.00017(8) 0.60344(13) 0.73334(7) 0.0248(3) Uani 1 1 d . . . . .
N1 N 0.56174(11) 0.48689(14) 0.71138(8) 0.0135(3) Uani 1 1 d . . . . .
N2 N 0.68075(11) 0.44448(15) 0.49811(8) 0.0129(3) Uani 1 1 d . . . . .
N3 N 0.77055(11) 0.29389(14) 0.57096(8) 0.0126(3) Uani 1 1 d . . . . .
O1 O 0.93067(12) 0.20112(16) 0.50848(9) 0.0304(3) Uani 1 1 d . . . . .
C1 C 0.47076(14) 0.45314(18) 0.71415(10) 0.0167(3) Uani 1 1 d . . . . .
H1 H 0.4341 0.4002 0.6787 0.02 Uiso 1 1 calc R U . . .
C2 C 0.42956(15) 0.4945(2) 0.76812(11) 0.0213(4) Uani 1 1 d . . . . .
H2 H 0.367 0.4683 0.7697 0.026 Uiso 1 1 calc R U . . .
C3 C 0.48398(17) 0.5757(2) 0.81950(12) 0.0237(4) Uani 1 1 d . . . . .
H3 H 0.4573 0.6069 0.8554 0.028 Uiso 1 1 calc R U . . .
C4 C 0.57819(15) 0.61051(19) 0.81750(10) 0.0205(4) Uani 1 1 d . . . . .
H4 H 0.6153 0.6642 0.8523 0.025 Uiso 1 1 calc R U . . .
C5 C 0.61695(14) 0.56434(17) 0.76279(10) 0.0151(3) Uani 1 1 d . . . . .
C6 C 0.71694(14) 0.58511(17) 0.75465(10) 0.0143(3) Uani 1 1 d . . . . .
C7 C 0.78811(15) 0.66136(18) 0.79888(10) 0.0184(4) Uani 1 1 d . . . . .
C8 C 0.88387(15) 0.66935(19) 0.79371(10) 0.0204(4) Uani 1 1 d . . . . .
H8 H 0.9304 0.72 0.8244 0.024 Uiso 1 1 calc R U . . .
C9 C 0.90642(13) 0.59784(19) 0.74047(10) 0.0171(3) Uani 1 1 d . . . . .
C10 C 0.83922(13) 0.52355(17) 0.69284(9) 0.0144(3) Uani 1 1 d . . . . .
H10 H 0.8585 0.4781 0.6574 0.017 Uiso 1 1 calc R U . . .
C11 C 0.74193(13) 0.51704(16) 0.69813(9) 0.0122(3) Uani 1 1 d . . . . .
C12 C 0.70120(12) 0.38340(16) 0.56090(9) 0.0108(3) Uani 1 1 d . . . . .
C13 C 0.72372(13) 0.41517(17) 0.43986(9) 0.0137(3) Uani 1 1 d . . . . .
C14 C 0.67845(14) 0.32467(18) 0.38885(10) 0.0166(3) Uani 1 1 d . . . . .
C15 C 0.58432(15) 0.2587(2) 0.39123(11) 0.0234(4) Uani 1 1 d . . . . .
H15A H 0.5637 0.2875 0.4322 0.035 Uiso 1 1 calc R U . . .
H15B H 0.5343 0.2783 0.3486 0.035 Uiso 1 1 calc R U . . .
H15C H 0.5949 0.1681 0.3944 0.035 Uiso 1 1 calc R U . . .
C16 C 0.72273(15) 0.2977(2) 0.33355(10) 0.0216(4) Uani 1 1 d . . . . .
H16 H 0.6948 0.2369 0.2994 0.026 Uiso 1 1 calc R U . . .
C17 C 0.80751(16) 0.3603(2) 0.32899(10) 0.0235(4) Uani 1 1 d . . . . .
H17 H 0.8361 0.3414 0.2918 0.028 Uiso 1 1 calc R U . . .
C18 C 0.85009(15) 0.4509(2) 0.37940(11) 0.0225(4) Uani 1 1 d . . . . .
H18 H 0.9068 0.4929 0.3755 0.027 Uiso 1 1 calc R U . . .
C19 C 0.80935(14) 0.48005(19) 0.43583(10) 0.0177(4) Uani 1 1 d . . . . .
C20 C 0.85568(18) 0.5784(2) 0.49081(12) 0.0279(5) Uani 1 1 d . . . . .
H20A H 0.8178 0.5858 0.5255 0.042 Uiso 1 1 calc R U . . .
H20B H 0.9215 0.5526 0.5142 0.042 Uiso 1 1 calc R U . . .
H20C H 0.8572 0.6593 0.4679 0.042 Uiso 1 1 calc R U . . .
C21 C 0.79222(13) 0.20758(17) 0.63173(9) 0.0138(3) Uani 1 1 d . . . . .
H21A H 0.7648 0.2424 0.6689 0.017 Uiso 1 1 calc R U . . .
H21B H 0.8629 0.2022 0.6506 0.017 Uiso 1 1 calc R U . . .
C22 C 0.75150(13) 0.07458(16) 0.61314(9) 0.0124(3) Uani 1 1 d . . . . .
C23 C 0.80124(14) -0.03053(18) 0.64913(10) 0.0165(3) Uani 1 1 d . . . . .
H23 H 0.8597 -0.0187 0.684 0.02 Uiso 1 1 calc R U . . .
C24 C 0.76412(15) -0.15314(18) 0.63329(11) 0.0215(4) Uani 1 1 d . . . . .
H24 H 0.7977 -0.2225 0.658 0.026 Uiso 1 1 calc R U . . .
C25 C 0.67771(15) -0.17272(19) 0.58109(11) 0.0209(4) Uani 1 1 d . . . . .
H25 H 0.6534 -0.2549 0.5704 0.025 Uiso 1 1 calc R U . . .
C26 C 0.62779(14) -0.06877(18) 0.54486(11) 0.0200(4) Uani 1 1 d . . . . .
H26 H 0.5698 -0.0813 0.5096 0.024 Uiso 1 1 calc R U . . .
C27 C 0.66402(14) 0.05423(18) 0.56091(10) 0.0166(3) Uani 1 1 d . . . . .
H27 H 0.6297 0.1235 0.5366 0.02 Uiso 1 1 calc R U . . .
C28 C 0.98320(19) 0.1298(3) 0.40771(14) 0.0359(5) Uani 1 1 d . . . . .
H28A H 0.9619 0.0656 0.3717 0.054 Uiso 1 1 calc R U . . .
H28B H 0.9796 0.2122 0.3854 0.054 Uiso 1 1 calc R U . . .
H28C H 1.0498 0.113 0.4336 0.054 Uiso 1 1 calc R U . . .
C29 C 0.91791(16) 0.1279(2) 0.45829(12) 0.0257(4) Uani 1 1 d . . . . .
C30 C 0.83823(18) 0.0295(3) 0.44469(13) 0.0338(5) Uani 1 1 d . . . . .
H30A H 0.8399 -0.0188 0.4029 0.051 Uiso 1 1 calc R U . . .
H30B H 0.8481 -0.0267 0.485 0.051 Uiso 1 1 calc R U . . .
H30C H 0.7756 0.0709 0.4374 0.051 Uiso 1 1 calc R U . . .
H2N H 0.634(2) 0.498(3) 0.4900(14) 0.026(7) Uiso 1 1 d . . . . .
H3N H 0.8000(18) 0.279(2) 0.5371(13) 0.020(6) 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 0 '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'
F F 0.0171 0.0103 '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'
Pt Pt -1.7033 8.3905 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.006 '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
C12 Pt1 C11 95.25(7) . . ?
C12 Pt1 N1 175.92(6) . . ?
C11 Pt1 N1 80.82(7) . . ?
C12 Pt1 Cl1 88.99(5) . . ?
C11 Pt1 Cl1 175.15(5) . . ?
N1 Pt1 Cl1 94.89(5) . . ?
C1 N1 C5 119.95(16) . . ?
C1 N1 Pt1 124.85(13) . . ?
C5 N1 Pt1 115.20(12) . . ?
C12 N2 C13 124.95(15) . . ?
C12 N2 H2N 117.4(18) . . ?
C13 N2 H2N 117.2(18) . . ?
C12 N3 C21 123.47(15) . . ?
C12 N3 H3N 119.3(16) . . ?
C21 N3 H3N 116.8(16) . . ?
N1 C1 C2 122.23(18) . . ?
N1 C1 H1 118.9 . . ?
C2 C1 H1 118.9 . . ?
C3 C2 C1 118.27(19) . . ?
C3 C2 H2 120.9 . . ?
C1 C2 H2 120.9 . . ?
C2 C3 C4 120.03(18) . . ?
C2 C3 H3 120 . . ?
C4 C3 H3 120 . . ?
C3 C4 C5 119.44(19) . . ?
C3 C4 H4 120.3 . . ?
C5 C4 H4 120.3 . . ?
N1 C5 C4 120.05(18) . . ?
N1 C5 C6 113.08(15) . . ?
C4 C5 C6 126.81(18) . . ?
C7 C6 C11 118.76(17) . . ?
C7 C6 C5 125.20(17) . . ?
C11 C6 C5 116.00(16) . . ?
F1 C7 C8 116.22(17) . . ?
F1 C7 C6 120.21(17) . . ?
C8 C7 C6 123.58(18) . . ?
C9 C8 C7 115.94(17) . . ?
C9 C8 H8 122 . . ?
C7 C8 H8 122 . . ?
F2 C9 C8 117.81(17) . . ?
F2 C9 C10 118.19(17) . . ?
C8 C9 C10 123.98(18) . . ?
C9 C10 C11 119.62(17) . . ?
C9 C10 H10 120.2 . . ?
C11 C10 H10 120.2 . . ?
C10 C11 C6 117.99(16) . . ?
C10 C11 Pt1 127.91(13) . . ?
C6 C11 Pt1 114.03(13) . . ?
N3 C12 N2 116.72(15) . . ?
N3 C12 Pt1 123.76(12) . . ?
N2 C12 Pt1 119.53(12) . . ?
C14 C13 C19 122.12(17) . . ?
C14 C13 N2 119.37(16) . . ?
C19 C13 N2 118.50(16) . . ?
C16 C14 C13 117.79(18) . . ?
C16 C14 C15 119.85(17) . . ?
C13 C14 C15 122.36(17) . . ?
C14 C15 H15A 109.5 . . ?
C14 C15 H15B 109.5 . . ?
H15A C15 H15B 109.5 . . ?
C14 C15 H15C 109.5 . . ?
H15A C15 H15C 109.5 . . ?
H15B C15 H15C 109.5 . . ?
C17 C16 C14 120.84(19) . . ?
C17 C16 H16 119.6 . . ?
C14 C16 H16 119.6 . . ?
C16 C17 C18 120.35(18) . . ?
C16 C17 H17 119.8 . . ?
C18 C17 H17 119.8 . . ?
C17 C18 C19 120.94(19) . . ?
C17 C18 H18 119.5 . . ?
C19 C18 H18 119.5 . . ?
C18 C19 C13 117.94(18) . . ?
C18 C19 C20 121.03(18) . . ?
C13 C19 C20 121.03(17) . . ?
C19 C20 H20A 109.5 . . ?
C19 C20 H20B 109.5 . . ?
H20A C20 H20B 109.5 . . ?
C19 C20 H20C 109.5 . . ?
H20A C20 H20C 109.5 . . ?
H20B C20 H20C 109.5 . . ?
N3 C21 C22 113.03(14) . . ?
N3 C21 H21A 109 . . ?
C22 C21 H21A 109 . . ?
N3 C21 H21B 109 . . ?
C22 C21 H21B 109 . . ?
H21A C21 H21B 107.8 . . ?
C23 C22 C27 118.65(17) . . ?
C23 C22 C21 119.81(16) . . ?
C27 C22 C21 121.53(16) . . ?
C24 C23 C22 120.49(17) . . ?
C24 C23 H23 119.8 . . ?
C22 C23 H23 119.8 . . ?
C25 C24 C23 120.55(18) . . ?
C25 C24 H24 119.7 . . ?
C23 C24 H24 119.7 . . ?
C24 C25 C26 119.40(18) . . ?
C24 C25 H25 120.3 . . ?
C26 C25 H25 120.3 . . ?
C25 C26 C27 120.35(18) . . ?
C25 C26 H26 119.8 . . ?
C27 C26 H26 119.8 . . ?
C26 C27 C22 120.56(17) . . ?
C26 C27 H27 119.7 . . ?
C22 C27 H27 119.7 . . ?
C29 C28 H28A 109.5 . . ?
C29 C28 H28B 109.5 . . ?
H28A C28 H28B 109.5 . . ?
C29 C28 H28C 109.5 . . ?
H28A C28 H28C 109.5 . . ?
H28B C28 H28C 109.5 . . ?
O1 C29 C30 121.8(2) . . ?
O1 C29 C28 121.5(2) . . ?
C30 C29 C28 116.7(2) . . ?
C29 C30 H30A 109.5 . . ?
C29 C30 H30B 109.5 . . ?
H30A C30 H30B 109.5 . . ?
C29 C30 H30C 109.5 . . ?
H30A C30 H30C 109.5 . . ?
H30B C30 H30C 109.5 . . ?
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
Pt1 C12 1.9814(17) . ?
Pt1 C11 1.9822(17) . ?
Pt1 N1 2.0735(15) . ?
Pt1 Cl1 2.3780(5) . ?
F1 C7 1.355(2) . ?
F2 C9 1.361(2) . ?
N1 C1 1.342(2) . ?
N1 C5 1.363(2) . ?
N2 C12 1.339(2) . ?
N2 C13 1.442(2) . ?
N2 H2N 0.85(3) . ?
N3 C12 1.331(2) . ?
N3 C21 1.453(2) . ?
N3 H3N 0.88(3) . ?
O1 C29 1.215(3) . ?
C1 C2 1.387(3) . ?
C1 H1 0.93 . ?
C2 C3 1.382(3) . ?
C2 H2 0.93 . ?
C3 C4 1.384(3) . ?
C3 H3 0.93 . ?
C4 C5 1.396(3) . ?
C4 H4 0.93 . ?
C5 C6 1.470(3) . ?
C6 C7 1.392(3) . ?
C6 C11 1.423(2) . ?
C7 C8 1.378(3) . ?
C8 C9 1.375(3) . ?
C8 H8 0.93 . ?
C9 C10 1.380(3) . ?
C10 C11 1.399(2) . ?
C10 H10 0.93 . ?
C13 C14 1.400(3) . ?
C13 C19 1.402(3) . ?
C14 C16 1.398(3) . ?
C14 C15 1.504(3) . ?
C15 H15A 0.96 . ?
C15 H15B 0.96 . ?
C15 H15C 0.96 . ?
C16 C17 1.383(3) . ?
C16 H16 0.93 . ?
C17 C18 1.384(3) . ?
C17 H17 0.93 . ?
C18 C19 1.391(3) . ?
C18 H18 0.93 . ?
C19 C20 1.505(3) . ?
C20 H20A 0.96 . ?
C20 H20B 0.96 . ?
C20 H20C 0.96 . ?
C21 C22 1.515(2) . ?
C21 H21A 0.97 . ?
C21 H21B 0.97 . ?
C22 C23 1.393(2) . ?
C22 C27 1.396(3) . ?
C23 C24 1.391(3) . ?
C23 H23 0.93 . ?
C24 C25 1.384(3) . ?
C24 H24 0.93 . ?
C25 C26 1.386(3) . ?
C25 H25 0.93 . ?
C26 C27 1.391(3) . ?
C26 H26 0.93 . ?
C27 H27 0.93 . ?
C28 C29 1.504(3) . ?
C28 H28A 0.96 . ?
C28 H28B 0.96 . ?
C28 H28C 0.96 . ?
C29 C30 1.495(3) . ?
C30 H30A 0.96 . ?
C30 H30B 0.96 . ?
C30 H30C 0.96 . ?
