#------------------------------------------------------------------------------
#$Date: 2022-07-27 00:55:19 +0300 (Wed, 27 Jul 2022) $
#$Revision: 276944 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/13/04/7130408.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_7130408
loop_
_publ_author_name
'Abeysekera, Amila M.'
'Averkiev, Boris B.'
'Sinha, Abhijeet Shekhar'
'Aakeröy, Christer'
_publ_section_title
;
 Evaluating structure-property relationship in a new family of
 mechanically flexible co-crystals
;
_journal_name_full               'Chemical Communications'
_journal_paper_doi               10.1039/D2CC02047E
_journal_year                    2022
_chemical_formula_moiety         'C7 H7 I N2 O, C7 H5 Cl O2'
_chemical_formula_sum            'C14 H12 Cl I N2 O3'
_chemical_formula_weight         418.61
_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     iterative
_audit_creation_date             2021-06-23
_audit_creation_method
;
Olex2 1.3-ac4
(compiled 2020.11.27 svn.r5f609507 for Rigaku Oxford Diffraction, GUI svn.r6214)
;
_audit_update_record
;
2022-02-14 deposited with the CCDC.	2022-07-26 downloaded from the CCDC.
;
_cell_angle_alpha                78.041(2)
_cell_angle_beta                 88.920(2)
_cell_angle_gamma                87.755(2)
_cell_formula_units_Z            2
_cell_length_a                   4.35000(10)
_cell_length_b                   11.5717(2)
_cell_length_c                   15.4381(3)
_cell_measurement_reflns_used    12376
_cell_measurement_temperature    200.00(10)
_cell_measurement_theta_max      76.6050
_cell_measurement_theta_min      2.8840
_cell_volume                     759.61(3)
_computing_cell_refinement       'CrysAlisPro 1.171.41.111a (Rigaku OD, 2021)'
_computing_data_collection       'CrysAlisPro 1.171.41.111a (Rigaku OD, 2021)'
_computing_data_reduction        'CrysAlisPro 1.171.41.111a (Rigaku OD, 2021)'
_computing_molecular_graphics    'Olex2 1.3-ac4 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.3-ac4 (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL 2018/3 (Sheldrick, 2015)'
_computing_structure_solution    'olex2.solve 1.3-ac4 (Bourhis et al., 2015)'
_diffrn_ambient_environment      N~2~
_diffrn_ambient_temperature      200.00(10)
_diffrn_detector                 'Hybrid Pixel Array Detector'
_diffrn_detector_area_resol_mean 10.0000
_diffrn_detector_type            HyPix
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 0.994
_diffrn_measurement_details
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  tₑₓₚ   ω     θ     κ     φ   Frames
#--------------------------------------------------------------------------
  1  ω    -63.00 -16.00   0.50    1.20    --  -43.30  96.00 -90.00   94
  2  ω     -8.00  26.00   0.50    1.20    --  -43.30  96.00 -90.00   68
  3  ω      4.00  50.00   0.50    1.20    --   43.30 -96.00 160.00   92
  4  ω    -72.00 -47.00   0.50    4.00    --  -90.25  96.00 -90.00   50
  5  ω     73.00 104.00   0.50    4.00    --  111.75 -96.00 160.00   62
  6  ω    142.00 167.00   0.50    4.00    --  111.75  96.00 -90.00   50
  7  ω    -70.00 -28.00   0.50    1.20    --  -43.30  77.00   0.00   84
  8  ω    -23.00  28.00   0.50    1.20    --  -43.30  77.00   0.00  102
  9  ω    -43.00  34.00   0.50    1.20    --  -43.30  38.00 -60.00  154
 10  ω   -116.00 -19.00   0.50    1.20    --  -43.30 -77.00-180.00  194
 11  ω     65.00  97.00   0.50    1.20    --   43.30-125.00-180.00   64
 12  ω   -134.00-108.00   0.50    4.00    --  -90.25 -96.00 160.00   52
 13  ω   -156.00 -83.00   0.50    4.00    --  -90.25 -94.00 -90.00  146
 14  ω    106.00 153.00   0.50    4.00    --  111.75  45.00-120.00   94
 15  ω     38.00  63.00   0.50    4.00    --  111.75 -61.00  60.00   50
 16  ω     89.00 169.00   0.50    4.00    --  111.75  30.00   0.00  160
 17  ω     73.00  98.00   0.50    4.00    --  111.75 -94.00  60.00   50
 18  ω     89.00 147.00   0.50    4.00    --  111.75  30.00 150.00  116
 19  ω     86.00 112.00   0.50    4.00    --  111.75-125.00-120.00   52
 20  ω     73.00 101.00   0.50    4.00    --  111.75  15.00  90.00   56
 21  ω     42.00  68.00   0.50    4.00    --  111.75 -94.00  60.00   52
 22  ω     84.00 111.00   0.50    4.00    --  111.75-125.00   0.00   54
 23  ω     77.00 106.00   0.50    4.00    --  111.75 -94.00   0.00   58
 24  ω     38.00  64.00   0.50    4.00    --  111.75-125.00   0.00   52
 25  ω     59.00  84.00   0.50    4.00    --  111.75-125.00-150.00   50
 26  ω     67.00  97.00   0.50    4.00    --  111.75 -94.00-120.00   60
 27  ω     38.00  64.00   0.50    4.00    --  111.75 -94.00  90.00   52
 28  ω     81.00 106.00   0.50    4.00    --  111.75 -94.00  90.00   50
 29  ω     40.00  91.00   0.50    4.00    --  111.75 -77.00   0.00  102
 30  ω     91.00 158.00   0.50    4.00    --  111.75  45.00-180.00  134
 31  ω     50.00 100.00   0.50    4.00    --  111.75 -94.00  30.00  100
 32  ω     47.00  72.00   0.50    4.00    --  111.75-125.00-120.00   50
 33  ω     80.00 105.00   0.50    4.00    --  111.75 -77.00  90.00   50
 34  ω     89.00 119.00   0.50    4.00    --  111.75  61.00 -90.00   60
 35  ω    140.00 166.00   0.50    4.00    --  111.75  61.00 -90.00   52
 36  ω    147.00 176.00   0.50    4.00    --  111.75  15.00-150.00   58
 37  ω     43.00  93.00   0.50    4.00    --  111.75 -94.00 -90.00  100
 38  ω     83.00 144.00   0.50    4.00    --  111.75  15.00 -90.00  122
 39  ω     39.00  65.00   0.50    4.00    --  111.75 -61.00  30.00   52
 40  ω     49.00  75.00   0.50    4.00    --  111.75 -77.00  90.00   52
 41  ω     38.00  80.00   0.50    4.00    --  111.75 -68.00  84.83   84
 42  ω    144.00 170.00   0.50    4.00    --  111.75  77.00 120.00   52
 43  ω     42.00  67.00   0.50    4.00    --  111.75 -77.00 -60.00   50
 44  ω     70.00 109.00   0.50    4.00    --  111.75-118.00 -49.22   78
 45  ω     52.00  93.00   0.50    4.00    --  111.75 -94.00 -30.00   82
 46  ω     87.00 112.00   0.50    4.00    --  111.75-125.00-150.00   50
 47  ω     80.00 112.00   0.50    4.00    --  111.75-125.00  30.00   64
 48  ω     57.00 106.00   0.50    4.00    --  111.75-125.00 120.00   98
 49  ω     91.00 151.00   0.50    4.00    --  111.75  45.00 150.00  120
 50  ω    127.00 153.00   0.50    4.00    --  111.75  77.00 150.00   52
 51  ω     54.00 104.00   0.50    4.00    --  111.75 -77.00-180.00  100
 52  ω     45.00  77.00   0.50    4.00    --  111.75 -77.00-150.00   64
 53  ω    109.00 176.00   0.50    4.00    --  111.75  15.00  90.00  134
 54  ω     38.00  74.00   0.50    4.00    --  111.75-125.00 -30.00   72
 55  ω     45.00  70.00   0.50    4.00    --  111.75 -61.00 150.00   50
 56  ω     91.00 117.00   0.50    4.00    --  111.75  58.00 135.98   52
 57  ω     91.00 116.00   0.50    4.00    --  111.75  61.00-180.00   50
 58  ω    116.00 141.00   0.50    4.00    --  111.75  77.00  30.00   50
 59  ω    115.00 141.00   0.50    4.00    --  111.75 -80.00-102.39   52
 60  ω     43.00  68.00   0.50    4.00    --  111.75 -94.00   0.00   50
 61  ω    118.00 143.00   0.50    4.00    --  111.75  96.00 -90.00   50
 62  ω     80.00 108.00   0.50    4.00    --  111.75-125.00  90.00   56
 63  ω     84.00 119.00   0.50    4.00    --  111.75  77.00  60.00   70
 64  ω    125.00 151.00   0.50    4.00    --  111.75  77.00  60.00   52
 65  ω     38.00  63.00   0.50    4.00    --  111.75 -61.00 -30.00   50
 66  ω     96.00 122.00   0.50    4.00    --  111.75  67.00-164.73   52
 67  ω    150.00 176.00   0.50    4.00    --  111.75  67.00-164.73   52
 68  ω     49.00  75.00   0.50    4.00    --  111.75 -77.00  30.00   52
 69  ω     62.00  88.00   0.50    4.00    --  111.75 -94.00-180.00   52
 70  ω     81.00 106.00   0.50    4.00    --  111.75 -94.00 120.00   50
 71  ω    143.00 169.00   0.50    4.00    --  111.75  45.00-180.00   52
 72  ω    143.00 169.00   0.50    4.00    --  111.75  45.00-150.00   52
 73  ω    117.00 143.00   0.50    4.00    --  111.75 -83.00 107.03   52
 74  ω     47.00  73.00   0.50    4.00    --  111.75-125.00  90.00   52
 75  ω   -116.00 -14.00   0.50    1.20    --  -43.30 -77.00   0.00  204
 76  ω   -116.00 -20.00   0.50    1.20    --  -43.30 -57.00 -90.00  192
 77  ω   -116.00 -20.00   0.50    1.20    --  -43.30 -57.00  90.00  192
 78  ω   -116.00 -14.00   0.50    1.20    --  -43.30 -77.00  60.00  204
 79  ω   -116.00 -14.00   0.50    1.20    --  -43.30 -77.00 -90.00  204
 80  ω   -120.00 -20.00   0.50    1.20    --  -43.30 -38.00-180.00  200
 81  ω    -34.00  43.00   0.50    1.20    --   43.30 -38.00 150.00  154
 82  ω     14.00 117.00   0.50    1.20    --   43.30  77.00-180.00  206
 83  ω     12.00 123.00   0.50    1.20    --   43.30  19.00  30.00  222
 84  ω     14.00 117.00   0.50    1.20    --   43.30  77.00 -60.00  206
 85  ω     83.00 133.00   0.50    4.00    --  111.75  77.00-120.00  100
;
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'XtaLAB Synergy, Dualflex, HyPix'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_type
'CrysAlisPro convention (1999,Acta A55,543-557)'
_diffrn_orient_matrix_UB_11      0.0837231000
_diffrn_orient_matrix_UB_12      -0.1016123000
_diffrn_orient_matrix_UB_13      0.0783973000
_diffrn_orient_matrix_UB_21      0.0919216000
_diffrn_orient_matrix_UB_22      0.0905336000
_diffrn_orient_matrix_UB_23      0.0544153000
_diffrn_orient_matrix_UB_31      -0.3319252000
_diffrn_orient_matrix_UB_32      0.0046853000
_diffrn_orient_matrix_UB_33      0.0360399000
_diffrn_radiation_monochromator  mirror
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           'Cu K\a'
_diffrn_radiation_wavelength     1.54184
_diffrn_reflns_av_R_equivalents  0.0426
_diffrn_reflns_av_unetI/netI     0.0251
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 0.994
_diffrn_reflns_limit_h_max       5
_diffrn_reflns_limit_h_min       -5
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_number            15874
_diffrn_reflns_point_group_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 0.994
_diffrn_reflns_theta_full        67.684
_diffrn_reflns_theta_max         76.860
_diffrn_reflns_theta_min         2.926
_diffrn_source                   'micro-focus sealed X-ray tube'
_diffrn_source_type              'PhotonJet (Cu) X-ray Source'
_exptl_absorpt_coefficient_mu    18.289
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.45933
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
CrysAlisPro 1.171.41.111a (Rigaku Oxford Diffraction, 2021)
Empirical absorption correction using spherical harmonics,
implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            colourless
_exptl_crystal_colour_primary    colourless
_exptl_crystal_density_diffrn    1.830
_exptl_crystal_description       needle
_exptl_crystal_F_000             408
_exptl_crystal_recrystallization_method 'crystallized from ethyl acetate'
_exptl_crystal_size_max          0.236
_exptl_crystal_size_mid          0.032
_exptl_crystal_size_min          0.016
_refine_diff_density_max         0.426
_refine_diff_density_min         -0.425
_refine_diff_density_rms         0.061
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.102
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     192
_refine_ls_number_reflns         3214
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.102
_refine_ls_R_factor_all          0.0240
_refine_ls_R_factor_gt           0.0228
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0307P)²+0.2288P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0609
_refine_ls_wR_factor_ref         0.0615
_reflns_Friedel_coverage         0.000
_reflns_number_gt                3028
_reflns_number_total             3214
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d2cc02047e2.cif
_cod_data_source_block           I-Me_4Cl-BA
_cod_database_code               7130408
_shelx_shelxl_version_number     2018/3
_chemical_oxdiff_formula         C14H12N2O3Cl1I1
_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.
;
_reflns_odcompleteness_completeness 99.08
_reflns_odcompleteness_iscentric 1
_reflns_odcompleteness_theta     77.17
_olex2_refinement_description
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All N(H) groups
 At 1.5 times of:
  All C(H,H,H) groups, All O(H) groups
2.a Aromatic/amide H refined with riding coordinates:
 N8(H8), C16(H16), C17(H17), C14(H14), C13(H13), C6(H6), C3(H3), C5(H5)
2.b Idealised Me refined as rotating group:
 C11(H11A,H11B,H11C)
2.c Idealised tetrahedral OH refined as rotating group:
 O21(H21)
;
_olex2_date_sample_data_collection 2021-06-15
_olex2_date_sample_submission    2021-06-15
_olex2_exptl_crystal_mounting_method 'mounted on a MITeGen loop'
_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
;
_oxdiff_exptl_absorpt_empirical_full_max 1.893
_oxdiff_exptl_absorpt_empirical_full_min 0.569
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
I7 I 0.80093(4) 0.10114(2) 0.20037(2) 0.04752(7) Uani 1 1 d . . . . .
Cl19 Cl -0.34675(14) 0.84890(5) 0.58830(4) 0.04592(14) Uani 1 1 d . . . . .
O20 O 0.5984(4) 0.73609(17) 0.26388(12) 0.0461(4) Uani 1 1 d . . . . .
O21 O 0.5272(5) 0.55495(16) 0.34477(12) 0.0503(5) Uani 1 1 d . . . . .
H21 H 0.643293 0.535093 0.305854 0.075 Uiso 1 1 calc R U . . .
O10 O 1.4157(5) 0.67883(19) 0.04415(14) 0.0562(5) Uani 1 1 d . . . . .
N8 N 1.0463(5) 0.63508(19) 0.15097(14) 0.0416(4) Uani 1 1 d . . . . .
H8 H 0.933208 0.666808 0.188435 0.050 Uiso 1 1 calc R U . . .
N2 N 0.8397(5) 0.46367(19) 0.22504(13) 0.0408(4) Uani 1 1 d . . . . .
C1 C 1.0244(5) 0.5139(2) 0.15851(15) 0.0369(5) Uani 1 1 d . . . . .
C15 C -0.1094(5) 0.7965(2) 0.51193(16) 0.0365(5) Uani 1 1 d . . . . .
C12 C 0.2776(5) 0.7142(2) 0.39267(15) 0.0347(4) Uani 1 1 d . . . . .
C16 C -0.0121(6) 0.6787(2) 0.52982(16) 0.0389(5) Uani 1 1 d . . . . .
H16 H -0.076886 0.626800 0.582427 0.047 Uiso 1 1 calc R U . . .
C4 C 0.9151(6) 0.2785(2) 0.18153(16) 0.0381(5) Uani 1 1 d . . . . .
C18 C 0.4839(6) 0.6705(2) 0.32750(16) 0.0386(5) Uani 1 1 d . . . . .
C17 C 0.1808(6) 0.6383(2) 0.46978(16) 0.0383(5) Uani 1 1 d . . . . .
H17 H 0.248514 0.557546 0.481126 0.046 Uiso 1 1 calc R U . . .
C14 C -0.0187(6) 0.8739(2) 0.43572(16) 0.0391(5) Uani 1 1 d . . . . .
H14 H -0.089708 0.954204 0.424266 0.047 Uiso 1 1 calc R U . . .
C13 C 0.1777(6) 0.8322(2) 0.37633(16) 0.0395(5) Uani 1 1 d . . . . .
H13 H 0.244318 0.884617 0.324188 0.047 Uiso 1 1 calc R U . . .
C6 C 1.1707(6) 0.4478(2) 0.10236(16) 0.0425(5) Uani 1 1 d . . . . .
H6 H 1.307336 0.484071 0.056956 0.051 Uiso 1 1 calc R U . . .
C9 C 1.2223(6) 0.7112(2) 0.09238(16) 0.0425(5) Uani 1 1 d . . . . .
C3 C 0.7856(6) 0.3479(2) 0.23623(16) 0.0417(5) Uani 1 1 d . . . . .
H3 H 0.653807 0.312724 0.283325 0.050 Uiso 1 1 calc R U . . .
C5 C 1.1131(6) 0.3291(2) 0.11406(16) 0.0412(5) Uani 1 1 d . . . . .
H5 H 1.208061 0.282630 0.076335 0.049 Uiso 1 1 calc R U . . .
C11 C 1.1535(8) 0.8395(3) 0.0931(2) 0.0549(7) Uani 1 1 d . . . . .
H11A H 1.340574 0.884124 0.077680 0.082 Uiso 1 1 calc R U . . .
H11B H 1.081959 0.847101 0.152316 0.082 Uiso 1 1 calc R U . . .
H11C H 0.993303 0.870713 0.049856 0.082 Uiso 1 1 calc R U . . .
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0181 0.0091 '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 0.3639 0.7018 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
I I -0.3257 6.8362 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0311 0.0180 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0492 0.0322 '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
C9 N8 C1 128.0(2) . . ?
C1 N2 C3 119.2(2) . . ?
N8 C1 C6 125.0(2) . . ?
N2 C1 N8 113.5(2) . . ?
N2 C1 C6 121.5(2) . . ?
C16 C15 Cl19 119.00(18) . . ?
C16 C15 C14 121.8(2) . . ?
C14 C15 Cl19 119.24(19) . . ?
C17 C12 C18 121.0(2) . . ?
C13 C12 C18 119.7(2) . . ?
C13 C12 C17 119.3(2) . . ?
C17 C16 C15 118.7(2) . . ?
C3 C4 I7 119.37(18) . . ?
C3 C4 C5 119.0(2) . . ?
C5 C4 I7 121.65(18) . . ?
O20 C18 O21 123.7(2) . . ?
O20 C18 C12 122.9(2) . . ?
O21 C18 C12 113.4(2) . . ?
C16 C17 C12 120.9(2) . . ?
C15 C14 C13 118.9(2) . . ?
C14 C13 C12 120.4(2) . . ?
C5 C6 C1 118.9(2) . . ?
O10 C9 N8 123.4(3) . . ?
O10 C9 C11 122.8(2) . . ?
N8 C9 C11 113.8(2) . . ?
N2 C3 C4 122.1(2) . . ?
C6 C5 C4 119.2(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
I7 C4 2.090(2) . ?
Cl19 C15 1.739(2) . ?
O20 C18 1.221(3) . ?
O21 C18 1.315(3) . ?
O10 C9 1.213(3) . ?
N8 C1 1.390(3) . ?
N8 C9 1.370(3) . ?
N2 C1 1.340(3) . ?
N2 C3 1.345(3) . ?
C1 C6 1.399(3) . ?
C15 C16 1.384(3) . ?
C15 C14 1.384(3) . ?
C12 C18 1.488(3) . ?
C12 C17 1.394(3) . ?
C12 C13 1.390(3) . ?
C16 C17 1.379(4) . ?
C4 C3 1.380(3) . ?
C4 C5 1.387(3) . ?
C14 C13 1.387(4) . ?
C6 C5 1.380(4) . ?
C9 C11 1.505(4) . ?
