One-pot Sonogashira coupling-cyclization toward regioselective synthesis of benzosultams.
Debnath, Sudarshan; Mondal, Shovan; The Journal of organic chemistry 80 (2015) 3940–3948; doi:10.1021/acs.joc.5b00274

data_4036155
_publ_section_title
;
 One-pot Sonogashira coupling-cyclization toward regioselective synthesis
 of benzosultams.
;
_journal_issue                   8
_journal_name_full               'The Journal of organic chemistry'
_journal_page_first              3940
_journal_page_last               3948
_journal_paper_doi               10.1021/acs.joc.5b00274
_journal_volume                  80
_journal_year                    2015
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_cell_angle_beta                 93.904(2)
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_cell_length_c                   15.7400(6)
_cell_measurement_temperature    296(2)
_cell_volume                     3971.6(3)
_computing_structure_refinement  'SHELXL-2014/6 (Sheldrick, 2014)'
_diffrn_ambient_temperature      296(2)
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_refine_ls_shift/su_max          0.004
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.1000P)^2^] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2117
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_reflns_Friedel_coverage         0.000
_reflns_number_gt                3344
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_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            jo5b00274_si_003.cif
_cod_data_source_block           vbchem009_0m_a
_cod_depositor_comments
;

2020-08-18
Z value and formula fixed to values more according to usual
chemical conventions.                 miguel
;
_cod_original_sg_symbol_H-M      'C 2/c'
_cod_original_formula_sum        'C H N O S'
_cod_original_formula_units_Z    52
_cod_original_formula_weight     75.09
_cod_database_code               4036155
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_shelx_res_checksum              99291
_shelx_hkl_checksum              14338