#------------------------------------------------------------------------------
#$Date: 2020-10-06 10:31:04 +0300 (Tue, 06 Oct 2020) $
#$Revision: 257381 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/55/76/1557639.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_1557639
loop_
_publ_author_name
'Gao, Wen-Chao'
'Tian, Jun'
'Shang, Yu-Zhu'
'Jiang, Xuefeng'
_publ_section_title
;
 Steric and stereoscopic disulfide construction for cross-linkage via
 N-dithiophthalimides
;
_journal_issue                   15
_journal_name_full               'Chemical Science'
_journal_page_first              3903
_journal_page_last               3908
_journal_paper_doi               10.1039/D0SC01060J
_journal_volume                  11
_journal_year                    2020
_chemical_formula_moiety         'C18 H15 O3 S2'
_chemical_formula_sum            'C18 H15 O3 S2'
_chemical_formula_weight         343.42
_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             2019-05-14
_audit_creation_method
;
Olex2 1.2
(compiled 2018.05.29 svn.r3508 for OlexSys, GUI svn.r5506)
;
_audit_update_record
;
2020-01-07 deposited with the CCDC.	2020-03-20 downloaded from the CCDC.
;
_cell_angle_alpha                99.463(2)
_cell_angle_beta                 113.869(3)
_cell_angle_gamma                105.929(3)
_cell_formula_units_Z            2
_cell_length_a                   9.2340(3)
_cell_length_b                   9.7230(3)
_cell_length_c                   10.6174(3)
_cell_measurement_reflns_used    12649
_cell_measurement_temperature    100.00(10)
_cell_measurement_theta_max      74.0410
_cell_measurement_theta_min      4.7740
_cell_volume                     796.06(5)
_computing_cell_refinement       'CrysAlisPro 1.171.39.32a (Rigaku OD, 2017)'
_computing_data_collection       'CrysAlisPro 1.171.39.32a (Rigaku OD, 2017)'
_computing_data_reduction        'CrysAlisPro 1.171.39.32a (Rigaku OD, 2017)'
_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_environment      N~2~
_diffrn_ambient_temperature      100.00(10)
_diffrn_detector                 'CCD plate'
_diffrn_measured_fraction_theta_full 0.984
_diffrn_measured_fraction_theta_max 0.964
_diffrn_measurement_details
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  tₑₓₚ   ω     θ     κ     φ   Frames
#--------------------------------------------------------------------------
  1  ω    -88.00 -51.00   1.00    1.00    --    0.00 -38.00 120.00   37
  2  ω    -28.00  24.00   1.00    1.00    --    0.00 -19.00-120.00   52
  3  ω    -23.00  12.00   1.00    1.00    --    0.00  57.00   0.00   35
  4  ω     13.00  44.00   1.00    1.00    --    0.00  77.00 120.00   31
  5  ω     48.00  88.00   1.00    1.00    --    0.00  77.00  30.00   40
  6  ω    -20.00  36.00   1.00    1.00    --    0.00  57.00 -30.00   56
  7  ω    -62.00 -32.00   1.00    1.00    --    0.00 -19.00-120.00   30
  8  ω    -22.00  19.00   1.00    1.00    --    0.00  57.00-150.00   41
  9  ω     49.00  88.00   1.00    1.00    --    0.00  57.00 -30.00   39
 10  ω    -12.00  19.00   1.00    1.00    --    0.00 -38.00 120.00   31
 11  ω    -31.00  -2.00   1.00    1.00    --    0.00 -57.00 -60.00   29
 12  ω    -30.00  22.00   1.00    1.00    --    0.00  77.00  30.00   52
 13  ω     35.00  85.00   1.00    1.00    --    0.00  57.00   0.00   50
 14  ω     33.00  88.00   1.00    1.00    --    0.00  57.00-150.00   55
 15  ω    -27.00   0.00   1.00    1.00    --    0.00  77.00 120.00   27
 16  ω     65.00  97.00   1.00    1.00    --   95.80  77.00 -60.00   32
 17  ω     58.00 128.00   1.00    1.00    --   95.80 -82.00 -60.00   70
 18  ω    119.00 185.00   1.00    1.00    --   95.80  45.00 150.00   66
 19  ω    127.00 185.00   1.00    1.00    --   95.80  77.00   0.00   58
 20  ω     66.00  92.00   1.00    1.00    --   95.80  77.00   0.00   26
 21  ω     76.00 109.00   1.00    1.00    --   95.80  45.00 150.00   33
 22  ω     69.00 184.00   1.00    1.00    --   95.80  65.00-140.62  115
 23  ω     65.00  90.00   1.00    1.00    --   95.80  77.00  30.00   25
 24  ω    103.00 129.00   1.00    1.00    --   95.80  77.00  30.00   26
 25  ω     63.00  99.00   1.00    1.00    --   95.80  82.00 120.00   36
 26  ω     63.00  88.00   1.00    1.00    --   95.80  82.00 150.00   25
 27  ω     12.00  38.00   1.00    1.00    --   95.80 -61.00-180.00   26
 28  ω     67.00 118.00   1.00    1.00    --   95.80 -61.00-180.00   51
 29  ω     77.00 159.00   1.00    1.00    --   95.80  45.00 -60.00   82
 30  ω     71.00  97.00   1.00    1.00    --   95.80  61.00  60.00   26
 31  ω    109.00 184.00   1.00    1.00    --   95.80  82.00-180.00   75
 32  ω     71.00 105.00   1.00    1.00    --   95.80  61.00  30.00   34
 33  ω     64.00  89.00   1.00    1.00    --   95.80  82.00-180.00   25
 34  ω    159.00 185.00   1.00    1.00    --   95.80  77.00  60.00   26
 35  ω    119.00 184.00   1.00    1.00    --   95.80  82.00  90.00   65
 36  ω     65.00  91.00   1.00    1.00    --   95.80  77.00  60.00   26
 37  ω    114.00 183.00   1.00    1.00    --   95.80  82.00 -90.00   69
 38  ω     64.00  90.00   1.00    1.00    --   95.80  82.00  90.00   26
 39  ω    127.00 185.00   1.00    1.00    --   95.80  61.00 -30.00   58
 40  ω     76.00 102.00   1.00    1.00    --   95.80  61.00   0.00   26
 41  ω     63.00  88.00   1.00    1.00    --   95.80  82.00-150.00   25
 42  ω     71.00  97.00   1.00    1.00    --   95.80  61.00 -30.00   26
 43  ω    124.00 161.00   1.00    1.00    --   95.80  77.00-120.00   37
 44  ω     63.00  98.00   1.00    1.00    --   95.80  82.00-120.00   35
 45  ω     66.00  92.00   1.00    1.00    --   95.80  77.00 -90.00   26
 46  ω     51.00 126.00   1.00    1.00    --   95.80 -82.00  30.00   75
 47  ω     65.00  90.00   1.00    1.00    --   95.80  77.00-120.00   25
 48  ω     65.00  90.00   1.00    1.00    --   95.80  77.00  90.00   25
 49  ω     47.00 123.00   1.00    1.00    --   95.80 -82.00-150.00   76
 50  ω    150.00 185.00   1.00    1.00    --   95.80  82.00 -60.00   35
 51  ω     71.00  97.00   1.00    1.00    --   95.80  61.00 120.00   26
 52  ω    154.00 179.00   1.00    1.00    --   95.80  61.00 120.00   25
 53  ω     65.00  94.00   1.00    1.00    --   95.80  77.00-180.00   29
 54  ω     80.00 151.00   1.00    1.00    --   95.80  45.00   0.00   71
 55  ω     76.00 156.00   1.00    1.00    --   95.80  45.00  90.00   80
 56  ω     75.00 102.00   1.00    1.00    --   95.80  45.00 120.00   27
 57  ω    119.00 183.00   1.00    1.00    --   95.80  61.00  60.00   64
 58  ω     76.00 105.00   1.00    1.00    --   95.80  45.00-180.00   29
 59  ω     65.00  91.00   1.00    1.00    --   95.80  77.00 -30.00   26
 60  ω     51.00  77.00   1.00    1.00    --   95.80 -77.00  90.00   26
 61  ω     89.00 115.00   1.00    1.00    --   95.80 -77.00  90.00   26
 62  ω     68.00  93.00   1.00    1.00    --   95.80  82.00 -60.00   25
 63  ω     64.00  99.00   1.00    1.00    --   95.80  82.00 -90.00   35
 64  ω     63.00  89.00   1.00    1.00    --   95.80  82.00  60.00   26
 65  ω    139.00 171.00   1.00    1.00    --   95.80  38.00-152.35   32
 66  ω     76.00 112.00   1.00    1.00    --   95.80  38.00-152.35   36
;
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'XtaLAB AFC12 (RINC): Kappa dual home/near'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_type
'CrysAlisPro convention (1999,Acta A55,543-557)'
_diffrn_orient_matrix_UB_11      -0.1780703000
_diffrn_orient_matrix_UB_12      -0.0253908000
_diffrn_orient_matrix_UB_13      -0.0123982000
_diffrn_orient_matrix_UB_21      0.0778394000
_diffrn_orient_matrix_UB_22      0.0377691000
_diffrn_orient_matrix_UB_23      0.1659467000
_diffrn_orient_matrix_UB_31      0.0326283000
_diffrn_orient_matrix_UB_32      0.1674292000
_diffrn_orient_matrix_UB_33      0.0149213000
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54184
_diffrn_reflns_av_R_equivalents  0.0532
_diffrn_reflns_av_unetI/netI     0.0288
_diffrn_reflns_Laue_measured_fraction_full 0.984
_diffrn_reflns_Laue_measured_fraction_max 0.964
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       11
_diffrn_reflns_limit_k_min       -11
_diffrn_reflns_limit_l_max       13
_diffrn_reflns_limit_l_min       -13
_diffrn_reflns_number            15559
_diffrn_reflns_point_group_measured_fraction_full 0.984
_diffrn_reflns_point_group_measured_fraction_max 0.964
_diffrn_reflns_theta_full        67.684
_diffrn_reflns_theta_max         74.516
_diffrn_reflns_theta_min         4.796
_diffrn_source                   'fine-focus sealed X-ray tube'
_diffrn_source_type              'Enhance (Cu) X-ray Source'
_exptl_absorpt_coefficient_mu    3.135
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.18952
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
CrysAlisPro 1.171.39.32a (Rigaku Oxford Diffraction, 2017)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            'clear light colourless'
_exptl_crystal_colour_lustre     clear
_exptl_crystal_colour_modifier   light
_exptl_crystal_colour_primary    colourless
_exptl_crystal_density_diffrn    1.433
_exptl_crystal_description       block
_exptl_crystal_F_000             358
_exptl_crystal_size_max          0.38
_exptl_crystal_size_mid          0.26
_exptl_crystal_size_min          0.22
_refine_diff_density_max         0.822
_refine_diff_density_min         -0.710
_refine_diff_density_rms         0.070
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.037
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     210
_refine_ls_number_reflns         3149
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.037
_refine_ls_R_factor_all          0.0402
_refine_ls_R_factor_gt           0.0396
_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)+(0.0642P)²+0.6090P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1062
_refine_ls_wR_factor_ref         0.1067
_reflns_Friedel_coverage         0.000
_reflns_number_gt                3063
_reflns_number_total             3149
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d0sc01060j2.cif
_cod_data_source_block           exp_821
_cod_depositor_comments
;Adding full bibliography for 1557638--1557640.cif.

 Adding full bibliography for 1557638--1557640.cif.
;
_cod_database_code               1557639
_shelx_shelxl_version_number     2016/6
_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 99.61
_reflns_odcompleteness_iscentric 1
_reflns_odcompleteness_theta     66.97
_olex2_refinement_description
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2.a Aromatic/amide H refined with riding coordinates:
 C1(H1), C2(H2), C4(H4), C5(H5), C9(H9), C10(H10), C11(H11), C12(H12), C14(H14)
2.b Idealised Me refined as rotating group:
 C7(H7A,H7B,H7C), C18(H18A,H18B,H18C)
;
_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 3.208
_oxdiff_exptl_absorpt_empirical_full_min 0.410
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
S1 S 0.31556(5) 0.92963(5) 0.61222(4) 0.01752(14) Uani 1 1 d . . . . .
S2 S 0.32152(5) 0.85477(5) 0.78206(4) 0.01515(14) Uani 1 1 d . . . . .
O1 O 0.42274(18) 0.57341(15) 0.69055(14) 0.0218(3) Uani 1 1 d . . . . .
O2 O 0.67716(17) 0.74847(16) 1.04958(14) 0.0225(3) Uani 1 1 d . . . . .
O3 O 0.41251(17) 0.73100(15) 1.00725(14) 0.0221(3) Uani 1 1 d . . . . .
C1 C 0.0903(2) 0.6404(2) 0.4261(2) 0.0185(4) Uani 1 1 d . . . . .
H1 H 0.031461 0.641401 0.479385 0.022 Uiso 1 1 calc R . . . .
C2 C 0.0316(2) 0.5168(2) 0.3076(2) 0.0195(4) Uani 1 1 d . . . . .
H2 H -0.067105 0.435323 0.281953 0.023 Uiso 1 1 calc R . . . .
C3 C 0.1176(2) 0.5117(2) 0.22551(19) 0.0190(4) Uani 1 1 d . . . . .
C4 C 0.2644(2) 0.6353(2) 0.26581(19) 0.0209(4) Uani 1 1 d . . . . .
H4 H 0.322989 0.634457 0.212352 0.025 Uiso 1 1 calc R . . . .
C5 C 0.3252(2) 0.7606(2) 0.38511(19) 0.0197(4) Uani 1 1 d . . . . .
H5 H 0.423975 0.842186 0.411000 0.024 Uiso 1 1 calc R . . . .
C6 C 0.2378(2) 0.7635(2) 0.46545(18) 0.0160(3) Uani 1 1 d . . . . .
C7 C 0.0508(3) 0.3753(2) 0.0979(2) 0.0252(4) Uani 1 1 d . . . . .
H7A H 0.051426 0.288909 0.130435 0.038 Uiso 1 1 calc GR . . . .
H7B H 0.122263 0.391159 0.052311 0.038 Uiso 1 1 calc GR . . . .
H7C H -0.064004 0.358793 0.029576 0.038 Uiso 1 1 calc GR . . . .
C8 C 0.6549(2) 0.7752(2) 0.70271(18) 0.0154(3) Uani 1 1 d . . . . .
C9 C 0.6925(2) 0.7116(2) 0.59761(18) 0.0184(4) Uani 1 1 d . . . . .
H9 H 0.627974 0.612520 0.537517 0.022 Uiso 1 1 calc R . . . .
C10 C 0.8290(2) 0.8009(2) 0.58587(19) 0.0213(4) Uani 1 1 d . . . . .
H10 H 0.856404 0.761794 0.516391 0.026 Uiso 1 1 calc R . . . .
C11 C 0.9256(2) 0.9491(2) 0.6774(2) 0.0222(4) Uani 1 1 d . . . . .
H11 H 1.017487 1.006924 0.668603 0.027 Uiso 1 1 calc R . . . .
C12 C 0.8873(2) 1.0120(2) 0.7818(2) 0.0190(4) Uani 1 1 d . . . . .
H12 H 0.952201 1.110885 0.842248 0.023 Uiso 1 1 calc R . . . .
C13 C 0.7496(2) 0.9234(2) 0.79325(18) 0.0149(3) Uani 1 1 d . . . . .
C14 C 0.6846(2) 0.9673(2) 0.89696(18) 0.0158(3) Uani 1 1 d . . . . .
H14 H 0.729865 1.058618 0.969306 0.019 Uiso 1 1 calc R . . . .
C15 C 0.5258(2) 0.82668(19) 0.85619(18) 0.0144(3) Uani 1 1 d . . . . .
C16 C 0.5204(2) 0.7028(2) 0.73805(18) 0.0156(3) Uani 1 1 d . . . . .
C17 C 0.5297(2) 0.76519(19) 0.97971(18) 0.0158(3) Uani 1 1 d . . . . .
C18 C 0.6906(3) 0.6840(3) 1.1660(2) 0.0296(5) Uani 1 1 d . . . . .
H18A H 0.600007 0.586906 1.127830 0.044 Uiso 1 1 calc GR . . . .
H18B H 0.681788 0.749037 1.238673 0.044 Uiso 1 1 calc GR . . . .
H18C H 0.798962 0.673362 1.208284 0.044 Uiso 1 1 calc GR . . . .
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'
O O 0.0492 0.0322 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
S S 0.3331 0.5567 '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
C6 S1 S2 105.01(6) . . ?
C15 S2 S1 103.59(6) . . ?
C17 O2 C18 115.04(15) . . ?
C2 C1 H1 120.1 . . ?
C2 C1 C6 119.83(17) . . ?
C6 C1 H1 120.1 . . ?
C1 C2 H2 119.3 . . ?
C1 C2 C3 121.47(17) . . ?
C3 C2 H2 119.3 . . ?
C2 C3 C7 120.07(18) . . ?
C4 C3 C2 118.10(17) . . ?
C4 C3 C7 121.84(17) . . ?
C3 C4 H4 119.5 . . ?
C3 C4 C5 121.08(17) . . ?
C5 C4 H4 119.5 . . ?
C4 C5 H5 120.0 . . ?
C6 C5 C4 119.95(17) . . ?
C6 C5 H5 120.0 . . ?
C1 C6 S1 122.17(14) . . ?
C5 C6 S1 118.21(14) . . ?
C5 C6 C1 119.58(17) . . ?
C3 C7 H7A 109.5 . . ?
C3 C7 H7B 109.5 . . ?
C3 C7 H7C 109.5 . . ?
H7A C7 H7B 109.5 . . ?
H7A C7 H7C 109.5 . . ?
H7B C7 H7C 109.5 . . ?
C9 C8 C16 127.87(16) . . ?
C13 C8 C9 121.91(17) . . ?
C13 C8 C16 110.21(15) . . ?
C8 C9 H9 121.1 . . ?
C10 C9 C8 117.80(17) . . ?
C10 C9 H9 121.1 . . ?
C9 C10 H10 119.7 . . ?
C9 C10 C11 120.56(17) . . ?
C11 C10 H10 119.7 . . ?
C10 C11 H11 119.3 . . ?
C12 C11 C10 121.36(18) . . ?
C12 C11 H11 119.3 . . ?
C11 C12 H12 120.8 . . ?
C13 C12 C11 118.34(17) . . ?
C13 C12 H12 120.8 . . ?
C8 C13 C14 112.38(15) . . ?
C12 C13 C8 120.02(16) . . ?
C12 C13 C14 127.60(16) . . ?
C13 C14 H14 127.7 . . ?
C13 C14 C15 104.68(13) . . ?
C15 C14 H14 127.7 . . ?
C14 C15 S2 114.40(12) . . ?
C14 C15 C16 105.29(13) . . ?
C16 C15 S2 109.03(11) . . ?
C17 C15 S2 104.42(11) . . ?
C17 C15 C14 115.33(14) . . ?
C17 C15 C16 108.19(14) . . ?
O1 C16 C8 129.08(16) . . ?
O1 C16 C15 123.86(16) . . ?
C8 C16 C15 107.05(14) . . ?
O2 C17 C15 110.76(14) . . ?
O3 C17 O2 124.66(16) . . ?
O3 C17 C15 124.53(16) . . ?
O2 C18 H18A 109.5 . . ?
O2 C18 H18B 109.5 . . ?
O2 C18 H18C 109.5 . . ?
H18A C18 H18B 109.5 . . ?
H18A C18 H18C 109.5 . . ?
H18B C18 H18C 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
S1 S2 2.0391(6) . ?
S1 C6 1.7841(18) . ?
S2 C15 1.8452(18) . ?
O1 C16 1.205(2) . ?
O2 C17 1.332(2) . ?
O2 C18 1.452(2) . ?
O3 C17 1.207(2) . ?
C1 H1 0.9300 . ?
C1 C2 1.384(3) . ?
C1 C6 1.394(3) . ?
C2 H2 0.9300 . ?
C2 C3 1.400(3) . ?
C3 C4 1.390(3) . ?
C3 C7 1.503(3) . ?
C4 H4 0.9300 . ?
C4 C5 1.395(3) . ?
C5 H5 0.9300 . ?
C5 C6 1.393(3) . ?
C7 H7A 0.9600 . ?
C7 H7B 0.9600 . ?
C7 H7C 0.9600 . ?
C8 C9 1.397(2) . ?
C8 C13 1.392(2) . ?
C8 C16 1.471(2) . ?
C9 H9 0.9300 . ?
C9 C10 1.386(3) . ?
C10 H10 0.9300 . ?
C10 C11 1.396(3) . ?
C11 H11 0.9300 . ?
C11 C12 1.393(3) . ?
C12 H12 0.9300 . ?
C12 C13 1.390(2) . ?
C13 C14 1.509(2) . ?
C14 H14 0.9300 . ?
C14 C15 1.549(2) . ?
C15 C16 1.564(2) . ?
C15 C17 1.520(2) . ?
C18 H18A 0.9600 . ?
C18 H18B 0.9600 . ?
C18 H18C 0.9600 . ?
