cis alkenes stabilized by intramolecular sulphurπ interactions.
Zhao, Xiaolei; Zheng, Wei; Zhang, Yi; Huang, Wei; Chemical communications (Cambridge, England) 56 (2020) 814–817; doi:10.1039/c9cc08558k

data_7125816
_publ_section_title
;
 cis alkenes stabilized by intramolecular sulphur\p interactions.
;
_journal_issue                   5
_journal_name_full               'Chemical communications (Cambridge, England)'
_journal_page_first              814
_journal_page_last               817
_journal_paper_doi               10.1039/c9cc08558k
_journal_volume                  56
_journal_year                    2020
_chemical_formula_moiety         'C24 H23 Cl N4 S'
_chemical_formula_sum            'C24 H23 Cl N4 S'
_chemical_formula_weight         434.97
_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     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-2014/7
_audit_update_record
;
2019-01-22 deposited with the CCDC.	2019-12-10 downloaded from the CCDC.
;
_cell_angle_alpha                78.986(4)
_cell_angle_beta                 87.800(5)
_cell_angle_gamma                85.372(5)
_cell_formula_units_Z            2
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_cell_measurement_theta_max      26.904
_cell_measurement_theta_min      2.360
_cell_volume                     1102.3(4)
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_computing_data_collection       'SMART (BRUKER 2000)'
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_computing_publication_material  'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_structure_solution    'SHELXTL (BRUKER 2000)'
_diffrn_ambient_temperature      291(2)
_diffrn_measured_fraction_theta_full 0.990
_diffrn_measured_fraction_theta_max 0.988
_diffrn_measurement_device_type  'BRUKER Smart Apex CCD area detector'
_diffrn_measurement_method       '\f and \w scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0465
_diffrn_reflns_av_unetI/netI     0.0933
_diffrn_reflns_Laue_measured_fraction_full 0.990
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_diffrn_source                   'fine-focus sealed tube'
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_exptl_crystal_colour            purple
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_exptl_crystal_description       block
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_refine_ls_extinction_method     none
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_refine_ls_number_reflns         5033
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_refine_ls_R_factor_all          0.0998
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_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0453P)^2^+0.2756P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
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_refine_ls_wR_factor_ref         0.1248
_reflns_Friedel_coverage         0.000
_reflns_number_gt                3277
_reflns_number_total             5033
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            c9cc08558k2.cif
_cod_data_source_block           trans-7
_cod_depositor_comments
'Adding full bibliography for 7125813--7125817.cif.'
_cod_original_cell_volume        1102.3(3)
_cod_database_code               7125816
_shelx_shelxl_version_number     2014/7
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_shelx_res_checksum              20364