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_7127014
_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            'C16 H14 O S'
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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
;
2019-01-07 deposited with the CCDC.	2020-08-05 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 94.105(11)
_cell_angle_gamma                90
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_cell_length_c                   27.643(6)
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_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_structure_solution    'SHELXS-97 (Sheldrick 2008)'
_diffrn_ambient_temperature      296(2)
_diffrn_measured_fraction_theta_full 0.995
_diffrn_measured_fraction_theta_max 0.995
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       '\f and \w scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_unetI/netI     0.0850
_diffrn_reflns_Laue_measured_fraction_full 0.995
_diffrn_reflns_Laue_measured_fraction_max 0.995
_diffrn_reflns_limit_h_max       4
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_diffrn_reflns_limit_l_max       32
_diffrn_reflns_limit_l_min       -32
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_diffrn_reflns_theta_max         24.994
_diffrn_reflns_theta_min         2.162
_exptl_absorpt_coefficient_mu    0.233
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.298
_exptl_crystal_description       Rectangular
_exptl_crystal_F_000             536
_exptl_crystal_size_max          0.290
_exptl_crystal_size_mid          0.220
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_refine_ls_extinction_coef       0.013(4)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc^2^\l^3^/sin(2\q)]^-1/4^
_refine_ls_extinction_method     'SHELXL-2014/7 (Sheldrick 2014'
_refine_ls_goodness_of_fit_ref   1.094
_refine_ls_hydrogen_treatment    constr
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_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.094
_refine_ls_R_factor_all          0.1021
_refine_ls_R_factor_gt           0.0694
_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^)+(0.0687P)^2^+1.5776P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1849
_refine_ls_wR_factor_ref         0.2109
_reflns_Friedel_coverage         0.000
_reflns_number_gt                5000
_reflns_number_total             7581
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            d0cc04647g2.cif
_cod_data_source_block           761
_cod_depositor_comments
'Adding full bibliography for 7127014--7127015.cif.'
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               7127014
_shelx_shelxl_version_number     2014/7
_shelx_estimated_absorpt_t_min   0.936
_shelx_estimated_absorpt_t_max   0.962
_shelx_res_checksum              3912
_shelx_hkl_checksum              73456