#------------------------------------------------------------------------------
#$Date: 2023-02-25 10:36:17 +0200 (Sat, 25 Feb 2023) $
#$Revision: 281138 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/71/23/7712394.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_7712394
loop_
_publ_author_name
'Salvador, Daniel'
'Herrera, Raquel'
'Gimeno, Maria Concepcion'
_publ_section_title
;
 Free-Catalysed Synthesis of Thiazolidine-Thiourea Ligands for Metal
 Coordination (Au and Ag) and Preliminary Cytotoxic Studies
;
_journal_name_full               'Dalton Transactions'
_journal_paper_doi               10.1039/D3DT00079F
_journal_year                    2023
_chemical_formula_sum            'C10 H10 N2 S'
_chemical_formula_weight         190.26
_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   mixed
_atom_sites_solution_primary     direct
_audit_creation_method           SHELXL-2016/6
_audit_update_record
;
2023-01-05 deposited with the CCDC.	2023-02-22 downloaded from the CCDC.
;
_cell_angle_alpha                105.562(4)
_cell_angle_beta                 100.603(3)
_cell_angle_gamma                90.042(4)
_cell_formula_units_Z            8
_cell_length_a                   8.4085(4)
_cell_length_b                   11.4813(5)
_cell_length_c                   20.4931(7)
_cell_measurement_reflns_used    6167
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      28.5180
_cell_measurement_theta_min      4.3330
_cell_volume                     1870.72(14)
_computing_cell_refinement
;
CrysAlisPro, Agilent Technologies,
Version 1.171.37.35 (release 13-08-2014 CrysAlis171 .NET)
(compiled Aug 13 2014,18:06:01)
;
_computing_data_collection
;
CrysAlisPro, Agilent Technologies,
Version 1.171.37.35 (release 13-08-2014 CrysAlis171 .NET)
(compiled Aug 13 2014,18:06:01)
;
_computing_data_reduction
;
CrysAlisPro, Agilent Technologies,
Version 1.171.37.35 (release 13-08-2014 CrysAlis171 .NET)
(compiled Aug 13 2014,18:06:01)
;
_computing_structure_refinement  'SHELXL-2016/6 (Sheldrick, 2016)'
_computing_structure_solution
;
CrysAlisPro, Agilent Technologies,
Version 1.171.37.35 (release 13-08-2014 CrysAlis171 .NET)
(compiled Aug 13 2014,18:06:01)
;
_diffrn_ambient_temperature      100(2)
_diffrn_detector_area_resol_mean 16.0655
_diffrn_measured_fraction_theta_full 0.982
_diffrn_measured_fraction_theta_max 0.867
_diffrn_measurement_device_type  'Xcalibur, Sapphire3'
_diffrn_measurement_method       'ω rotations'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0329
_diffrn_reflns_av_unetI/netI     0.0455
_diffrn_reflns_Laue_measured_fraction_full 0.982
_diffrn_reflns_Laue_measured_fraction_max 0.867
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       27
_diffrn_reflns_limit_l_min       -27
_diffrn_reflns_number            21306
_diffrn_reflns_point_group_measured_fraction_full 0.982
_diffrn_reflns_point_group_measured_fraction_max 0.867
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         28.770
_diffrn_reflns_theta_min         4.149
_diffrn_source                   'Enhance (Mo) X-ray Source'
_exptl_absorpt_coefficient_mu    0.296
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.85673
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
CrysAlisPro, Agilent Technologies,
Version 1.171.37.35 (release 13-08-2014 CrysAlis171 .NET)
(compiled Aug 13 2014,18:06:01)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.351
_exptl_crystal_description       prism
_exptl_crystal_F_000             800
_exptl_crystal_size_max          0.420
_exptl_crystal_size_mid          0.120
_exptl_crystal_size_min          0.100
_exptl_transmission_factor_max   1.00000
_exptl_transmission_factor_min   0.85673
_refine_diff_density_max         0.329
_refine_diff_density_min         -0.298
_refine_diff_density_rms         0.052
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.020
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     601
_refine_ls_number_reflns         8443
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.020
_refine_ls_R_factor_all          0.0571
_refine_ls_R_factor_gt           0.0387
_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)+(0.0336P)²+0.7107P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0810
_refine_ls_wR_factor_ref         0.0889
_reflns_Friedel_coverage         0.000
_reflns_number_gt                6594
_reflns_number_total             8443
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d3dt00079f2.cif
_cod_data_source_block           c507
_cod_original_cell_volume        1870.73(14)
_cod_database_code               7712394
_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.
;
_shelx_estimated_absorpt_t_min   0.886
_shelx_estimated_absorpt_t_max   0.971
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 1.18850(5) 0.88213(4) 0.12191(2) 0.02354(11) Uani 1 1 d . . . . .
S2 S 0.71429(5) 0.73141(5) 1.10233(3) 0.02912(12) Uani 1 1 d . . . . .
S3 S 0.58622(5) 0.11276(4) 0.37646(2) 0.02417(11) Uani 1 1 d . . . . .
S4 S 1.12662(5) 0.27030(4) 0.39806(2) 0.02396(11) Uani 1 1 d . . . . .
N1 N 0.91568(16) 0.89524(13) 0.03767(7) 0.0191(3) Uani 1 1 d . . . . .
N2 N 1.07533(17) 0.72940(14) 0.00005(7) 0.0206(3) Uani 1 1 d . . . . .
N3 N 0.41778(16) 0.67131(13) 1.03100(7) 0.0215(3) Uani 1 1 d . . . . .
N4 N 0.57246(17) 0.80709(14) 0.99547(7) 0.0195(3) Uani 1 1 d . . . . .
N5 N 0.38675(16) 0.10439(13) 0.46058(7) 0.0199(3) Uani 1 1 d . . . . .
N8 N 1.08023(17) 0.19459(13) 0.50486(7) 0.0187(3) Uani 1 1 d . . . . .
N6 N 0.58020(17) 0.27067(14) 0.49636(7) 0.0200(3) Uani 1 1 d . . . . .
N7 N 0.89458(16) 0.33072(14) 0.46952(7) 0.0207(3) Uani 1 1 d . . . . .
C1 C 1.04081(19) 0.83311(16) 0.04421(8) 0.0177(3) Uani 1 1 d . . . . .
C2 C 0.9213(2) 1.00148(17) 0.09665(9) 0.0222(4) Uani 1 1 d . . . . .
C3 C 1.0704(2) 1.00410(16) 0.15185(9) 0.0217(4) Uani 1 1 d . . . . .
C4 C 1.1088(3) 1.0840(2) 0.21272(10) 0.0334(5) Uani 1 1 d . . . . .
C5 C 0.97727(19) 0.66029(16) -0.06181(8) 0.0182(3) Uani 1 1 d . . . . .
C6 C 1.0103(2) 0.53883(16) -0.08478(9) 0.0209(4) Uani 1 1 d . . . . .
H6 H 1.094428 0.505792 -0.058595 0.025 Uiso 1 1 calc R U . . .
C7 C 0.9208(2) 0.46623(18) -0.14563(9) 0.0225(4) Uani 1 1 d . . . . .
C8 C 0.7967(2) 0.51352(17) -0.18380(9) 0.0226(4) Uani 1 1 d . . . . .
H35 H 0.734327 0.463381 -0.225310 0.027 Uiso 1 1 calc R U . . .
C9 C 0.7645(2) 0.63407(17) -0.16099(9) 0.0222(4) Uani 1 1 d . . . . .
C10 C 0.85463(19) 0.70866(16) -0.10055(9) 0.0200(4) Uani 1 1 d . . . . .
H10 H 0.832882 0.791828 -0.085782 0.024 Uiso 1 1 calc R U . . .
C11 C 0.54621(19) 0.73480(16) 1.03548(9) 0.0188(3) Uani 1 1 d . . . . .
C12 C 0.4358(2) 0.60454(19) 1.08303(10) 0.0296(4) Uani 1 1 d . . . . .
H12A H 0.419273 0.516689 1.059939 0.035 Uiso 1 1 calc R U . . .
H12B H 0.351945 0.627784 1.111626 0.035 Uiso 1 1 calc R U . . .
C13 C 0.6016(2) 0.63014(16) 1.12884(9) 0.0217(4) Uani 1 1 d . . . . .
C14 C 0.6567(3) 0.58276(19) 1.17992(10) 0.0276(4) Uani 1 1 d . . . . .
C15 C 0.48106(19) 0.80954(16) 0.93105(8) 0.0188(4) Uani 1 1 d . . . . .
C16 C 0.5286(2) 0.89748(17) 0.90196(9) 0.0226(4) Uani 1 1 d . . . . .
C17 C 0.4548(2) 0.89884(19) 0.83602(10) 0.0273(4) Uani 1 1 d . . . . .
C18 C 0.3298(2) 0.81483(18) 0.79903(10) 0.0272(4) Uani 1 1 d . . . . .
C19 C 0.2796(2) 0.73057(18) 0.82891(9) 0.0258(4) Uani 1 1 d . . . . .
C20 C 0.3544(2) 0.72620(17) 0.89448(9) 0.0218(4) Uani 1 1 d . . . . .
C21 C 0.50664(19) 0.16562(16) 0.45350(8) 0.0179(3) Uani 1 1 d . . . . .
C22 C 0.3392(2) -0.00248(17) 0.40223(10) 0.0242(4) Uani 1 1 d . . . . .
C23 C 0.4509(2) -0.01525(16) 0.35044(9) 0.0213(4) Uani 1 1 d . . . . .
C24 C 0.4498(2) -0.10613(19) 0.29482(10) 0.0271(4) Uani 1 1 d . . . . .
C25 C 0.53592(19) 0.34324(16) 0.55679(8) 0.0176(3) Uani 1 1 d . . . . .
C26 C 0.5916(2) 0.46462(16) 0.57829(9) 0.0205(4) Uani 1 1 d . . . . .
C27 C 0.5545(2) 0.54059(17) 0.63739(9) 0.0218(4) Uani 1 1 d . . . . .
C28 C 0.4601(2) 0.49799(17) 0.67593(9) 0.0212(4) Uani 1 1 d . . . . .
C29 C 0.4062(2) 0.37694(17) 0.65453(9) 0.0223(4) Uani 1 1 d . . . . .
C30 C 0.4439(2) 0.29951(17) 0.59583(9) 0.0196(4) Uani 1 1 d . . . . .
C31 C 1.01888(19) 0.26699(15) 0.46493(8) 0.0172(3) Uani 1 1 d . . . . .
C32 C 0.8652(2) 0.39750(18) 0.41760(10) 0.0264(4) Uani 1 1 d . . . . .
H32A H 0.870324 0.485375 0.440718 0.032 Uiso 1 1 calc R U . . .
H32B H 0.755234 0.374597 0.389365 0.032 Uiso 1 1 calc R U . . .
C33 C 0.9894(2) 0.37113(16) 0.37108(9) 0.0202(4) Uani 1 1 d . . . . .
C34 C 0.9979(2) 0.41759(18) 0.31923(9) 0.0241(4) Uani 1 1 d . . . . .
C35 C 1.04295(19) 0.18992(15) 0.56855(8) 0.0176(3) Uani 1 1 d . . . . .
C36 C 1.1098(2) 0.09779(17) 0.59567(9) 0.0213(4) Uani 1 1 d . . . . .
C37 C 1.0900(2) 0.09244(18) 0.66032(9) 0.0238(4) Uani 1 1 d . . . . .
C38 C 1.0021(2) 0.17775(17) 0.69876(9) 0.0241(4) Uani 1 1 d . . . . .
C39 C 0.9334(2) 0.26746(17) 0.67106(9) 0.0240(4) Uani 1 1 d . . . . .
C40 C 0.9527(2) 0.27458(16) 0.60635(9) 0.0206(4) Uani 1 1 d . . . . .
H24 H 0.372(2) -0.1720(19) 0.2843(10) 0.030(5) Uiso 1 1 d . . . . .
H8 H 1.169(2) 0.1626(18) 0.4941(10) 0.028(5) Uiso 1 1 d . . . . .
H23 H 0.526(2) -0.1099(17) 0.2651(10) 0.026(5) Uiso 1 1 d . . . . .
H20 H 0.320(2) 0.6660(18) 0.9106(10) 0.024(5) Uiso 1 1 d . . . . .
H30 H 0.409(2) 0.2167(18) 0.5817(10) 0.025(5) Uiso 1 1 d . . . . .
H3 H 1.038(3) 1.149(2) 0.2253(11) 0.042(6) Uiso 1 1 d . . . . .
H22 H 0.345(2) -0.0745(17) 0.4199(9) 0.020(5) Uiso 1 1 d . . . . .
H27 H 0.592(2) 0.6210(18) 0.6500(9) 0.022(5) Uiso 1 1 d . . . . .
H33 H 0.919(2) 0.4739(18) 0.3091(10) 0.030(5) Uiso 1 1 d . . . . .
H14 H 0.588(2) 0.5268(18) 1.1898(10) 0.026(5) Uiso 1 1 d . . . . .
H25 H 0.672(3) 0.2912(19) 0.4876(10) 0.033(6) Uiso 1 1 d . . . . .
H26 H 0.655(2) 0.4931(17) 0.5514(10) 0.025(5) Uiso 1 1 d . . . . .
H9 H 0.681(2) 0.6678(17) -0.1867(10) 0.024(5) Uiso 1 1 d . . . . .
H39 H 0.871(2) 0.3298(18) 0.6975(10) 0.029(5) Uiso 1 1 d . . . . .
H40 H 0.908(2) 0.3380(17) 0.5901(9) 0.022(5) Uiso 1 1 d . . . . .
H38 H 0.988(2) 0.1756(18) 0.7439(11) 0.033(5) Uiso 1 1 d . . . . .
H29 H 0.342(2) 0.3467(18) 0.6808(10) 0.029(5) Uiso 1 1 d . . . . .
H37 H 1.133(2) 0.0270(19) 0.6765(11) 0.035(6) Uiso 1 1 d . . . . .
H7 H 0.946(2) 0.3827(18) -0.1595(9) 0.023(5) Uiso 1 1 d . . . . .
H16 H 0.614(2) 0.9550(17) 0.9270(9) 0.019(5) Uiso 1 1 d . . . . .
H19 H 0.188(2) 0.6741(19) 0.8050(10) 0.032(5) Uiso 1 1 d . . . . .
H5 H 0.668(3) 0.8406(18) 1.0063(10) 0.028(5) Uiso 1 1 d . . . . .
H2 H 0.921(2) 1.0766(18) 0.0811(10) 0.026(5) Uiso 1 1 d . . . . .
H36 H 1.169(2) 0.0385(18) 0.5690(10) 0.025(5) Uiso 1 1 d . . . . .
H0 H 1.175(3) 0.7058(19) 0.0103(11) 0.036(6) Uiso 1 1 d . . . . .
H28 H 0.432(2) 0.5496(18) 0.7174(10) 0.027(5) Uiso 1 1 d . . . . .
H17 H 0.488(2) 0.9626(19) 0.8168(10) 0.031(5) Uiso 1 1 d . . . . .
H34 H 1.081(2) 0.3952(17) 0.2899(10) 0.024(5) Uiso 1 1 d . . . . .
H13 H 0.764(2) 0.6029(18) 1.2069(10) 0.028(5) Uiso 1 1 d . . . . .
H18 H 0.279(2) 0.8157(17) 0.7533(10) 0.028(5) Uiso 1 1 d . . . . .
H4 H 1.205(3) 1.0766(19) 0.2450(11) 0.041(6) Uiso 1 1 d . . . . .
H21 H 0.229(3) 0.0043(19) 0.3797(11) 0.038(6) Uiso 1 1 d . . . . .
H1 H 0.825(2) 1.0010(17) 0.1162(9) 0.023(5) 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 0.0000 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'
S S 0.1246 0.1234 '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
C3 S1 C1 89.84(8) . . ?
C13 S2 C11 89.67(8) . . ?
C23 S3 C21 89.97(8) . . ?
C33 S4 C31 89.79(8) . . ?
C1 N1 C2 112.23(14) . . ?
C1 N2 C5 128.25(14) . . ?
C11 N3 C12 112.10(14) . . ?
C11 N4 C15 127.95(15) . . ?
C21 N5 C22 112.08(14) . . ?
C31 N8 C35 127.96(15) . . ?
C21 N6 C25 128.34(15) . . ?
C31 N7 C32 112.37(14) . . ?
N1 C1 N2 128.19(15) . . ?
N1 C1 S1 117.81(13) . . ?
N2 C1 S1 113.95(12) . . ?
N1 C2 C3 110.89(14) . . ?
C4 C3 C2 126.71(18) . . ?
C4 C3 S1 124.18(15) . . ?
C2 C3 S1 109.12(12) . . ?
C10 C5 C6 119.80(16) . . ?
C10 C5 N2 123.17(16) . . ?
C6 C5 N2 117.01(15) . . ?
C7 C6 C5 120.13(16) . . ?
C6 C7 C8 120.27(17) . . ?
C9 C8 C7 119.47(17) . . ?
C8 C9 C10 121.01(16) . . ?
C9 C10 C5 119.30(17) . . ?
N3 C11 N4 127.96(15) . . ?
N3 C11 S2 117.67(13) . . ?
N4 C11 S2 114.37(12) . . ?
N3 C12 C13 111.21(15) . . ?
C14 C13 C12 126.22(17) . . ?
C14 C13 S2 124.41(15) . . ?
C12 C13 S2 109.35(12) . . ?
C20 C15 C16 119.55(16) . . ?
C20 C15 N4 123.60(16) . . ?
C16 C15 N4 116.76(15) . . ?
C17 C16 C15 120.31(18) . . ?
C16 C17 C18 120.26(18) . . ?
C19 C18 C17 119.20(17) . . ?
C18 C19 C20 121.35(18) . . ?
C19 C20 C15 119.27(17) . . ?
N5 C21 N6 128.37(16) . . ?
N5 C21 S3 117.69(13) . . ?
N6 C21 S3 113.89(12) . . ?
N5 C22 C23 111.28(15) . . ?
C24 C23 C22 126.95(18) . . ?
C24 C23 S3 124.38(15) . . ?
C22 C23 S3 108.67(13) . . ?
C30 C25 C26 119.44(16) . . ?
C30 C25 N6 123.47(16) . . ?
C26 C25 N6 117.08(15) . . ?
C27 C26 C25 120.24(16) . . ?
C26 C27 C28 120.59(18) . . ?
C29 C28 C27 118.87(17) . . ?
C30 C29 C28 121.13(17) . . ?
C29 C30 C25 119.71(17) . . ?
N7 C31 N8 127.79(15) . . ?
N7 C31 S4 117.65(12) . . ?
N8 C31 S4 114.56(12) . . ?
N7 C32 C33 111.05(14) . . ?
C34 C33 C32 126.41(16) . . ?
C34 C33 S4 124.43(15) . . ?
C32 C33 S4 109.14(12) . . ?
C40 C35 C36 119.42(16) . . ?
C40 C35 N8 123.89(15) . . ?
C36 C35 N8 116.59(15) . . ?
C37 C36 C35 120.32(17) . . ?
C36 C37 C38 120.53(17) . . ?
C39 C38 C37 118.91(17) . . ?
C38 C39 C40 121.32(18) . . ?
C39 C40 C35 119.48(16) . . ?
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 C3 1.7574(18) . ?
S1 C1 1.7846(16) . ?
S2 C13 1.7526(18) . ?
S2 C11 1.7866(17) . ?
S3 C23 1.7587(18) . ?
S3 C21 1.7844(17) . ?
S4 C33 1.7570(17) . ?
S4 C31 1.7846(16) . ?
N1 C1 1.278(2) . ?
N1 C2 1.462(2) . ?
N2 C1 1.357(2) . ?
N2 C5 1.411(2) . ?
N3 C11 1.278(2) . ?
N3 C12 1.458(2) . ?
N4 C11 1.357(2) . ?
N4 C15 1.408(2) . ?
N5 C21 1.280(2) . ?
N5 C22 1.460(2) . ?
N8 C31 1.355(2) . ?
N8 C35 1.412(2) . ?
N6 C21 1.356(2) . ?
N6 C25 1.408(2) . ?
N7 C31 1.279(2) . ?
N7 C32 1.457(2) . ?
C2 C3 1.521(2) . ?
C3 C4 1.319(3) . ?
C5 C10 1.392(2) . ?
C5 C6 1.393(2) . ?
C6 C7 1.383(2) . ?
C7 C8 1.387(2) . ?
C8 C9 1.381(3) . ?
C9 C10 1.388(2) . ?
C12 C13 1.510(2) . ?
C13 C14 1.317(2) . ?
C15 C20 1.390(3) . ?
C15 C16 1.394(2) . ?
C16 C17 1.383(2) . ?
C17 C18 1.386(3) . ?
C18 C19 1.379(3) . ?
C19 C20 1.389(2) . ?
C22 C23 1.521(2) . ?
C23 C24 1.321(3) . ?
C25 C30 1.391(2) . ?
C25 C26 1.396(2) . ?
C26 C27 1.377(3) . ?
C27 C28 1.389(2) . ?
C28 C29 1.389(3) . ?
C29 C30 1.380(2) . ?
C32 C33 1.518(2) . ?
C33 C34 1.323(2) . ?
C35 C40 1.390(2) . ?
C35 C36 1.395(2) . ?
C36 C37 1.383(2) . ?
C37 C38 1.388(3) . ?
C38 C39 1.382(3) . ?
C39 C40 1.389(2) . ?
