Copper-catalyzed double C-S bond formation for the synthesis of 2-acyldihydrobenzo[<i>b</i>]thiophenes and 2-acylbenzo[<i>b</i>]thiophenes.
Sangeetha, Subramani; Sekar, Govindasamy; Chemical communications (Cambridge, England) 56 (2020) 10906–10909; doi:10.1039/d0cc04647g

data_7127015
_publ_section_title
;
 Copper-catalyzed double C-S bond formation for the synthesis of
 2-acyldihydrobenzo[<i>b</i>]thiophenes and
 2-acylbenzo[<i>b</i>]thiophenes.
;
_journal_issue                   74
_journal_name_full               'Chemical communications (Cambridge, England)'
_journal_page_first              10906
_journal_page_last               10909
_journal_paper_doi               10.1039/d0cc04647g
_journal_volume                  56
_journal_year                    2020
_chemical_formula_sum            'C14 H10 O2 S2'
_chemical_formula_weight         274.34
_space_group_crystal_system      monoclinic
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_space_group_name_Hall           '-P 2yn'
_space_group_name_H-M_alt        'P 1 21/n 1'
_atom_sites_solution_hydrogens   geom
_audit_creation_method           SHELXL-2014/7
_audit_update_record
;
2020-04-21 deposited with the CCDC.	2020-08-05 downloaded from the CCDC.
;
_cell_angle_alpha                90
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_cell_angle_gamma                90
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_cell_length_c                   16.2069(9)
_cell_measurement_reflns_used    7010
_cell_measurement_temperature    296(2)
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_cell_measurement_theta_min      2.48
_cell_volume                     1237.73(12)
_computing_cell_refinement       'Bruker SAINT'
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_computing_publication_material  'Bruker SHELXTL'
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_computing_structure_solution    'SHELXS-97 (Sheldrick 2008)'
_diffrn_ambient_temperature      296(2)
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 1.000
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       '\f and \w scans'
_diffrn_radiation_type           MoK\a
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_diffrn_reflns_av_R_equivalents  0.0767
_diffrn_reflns_av_unetI/netI     0.0407
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 1.000
_diffrn_reflns_limit_h_max       16
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_diffrn_reflns_point_group_measured_fraction_max 1.000
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_diffrn_reflns_theta_max         24.998
_diffrn_reflns_theta_min         2.483
_exptl_absorpt_coefficient_mu    0.419
_exptl_absorpt_correction_T_max  0.951
_exptl_absorpt_correction_T_min  0.913
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS V2014/5(Bruker AXS.Inc)'
_exptl_crystal_colour            colourless
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_refine_diff_density_rms         0.059
_refine_ls_extinction_method     none
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_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     164
_refine_ls_number_reflns         2167
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.148
_refine_ls_R_factor_all          0.0564
_refine_ls_R_factor_gt           0.0462
_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/[\s^2^(Fo^2^)+(0.0495P)^2^+1.0945P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1248
_refine_ls_wR_factor_ref         0.1328
_reflns_Friedel_coverage         0.000
_reflns_number_gt                1798
_reflns_number_total             2167
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            d0cc04647g2.cif
_cod_data_source_block           178
_cod_depositor_comments
'Adding full bibliography for 7127014--7127015.cif.'
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               7127015
_shelx_shelxl_version_number     2014/7
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_shelx_hkl_checksum              2931