Synthesis of biologically active fused 1,4-oxathiin derivatives from 4-hydroxydithiocoumarins, arylacetylenes and dimethyl sulfoxide by Cu(i)-catalyzed C-H functionalization and cross-dehydrogenative C-S coupling reactions.
Mondal, Santa; Yashmin, Sabina; Ali, Rashid; Soundaram, R.; Ghosh, Siddhartha S.; Khan, Abu Taleb; Organic & biomolecular chemistry 19 (2021) 5818–5826; doi:10.1039/d1ob00846c

data_7158116
_publ_section_title
;
 Synthesis of biologically active fused 1,4-oxathiin derivatives from
 4-hydroxydithiocoumarins, arylacetylenes and dimethyl sulfoxide by
 Cu(i)-catalyzed C-H functionalization and cross-dehydrogenative C-S
 coupling reactions.
;
_journal_issue                   26
_journal_name_full               'Organic &amp; biomolecular chemistry'
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_journal_page_last               5826
_journal_paper_doi               10.1039/d1ob00846c
_journal_volume                  19
_journal_year                    2021
_chemical_formula_sum            'C17 H9 F O2 S2'
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_audit_update_record
;
2020-12-12 deposited with the CCDC.	2021-06-01 downloaded from the CCDC.
;
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_cell_measurement_theta_min      2.28
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_diffrn_ambient_temperature      296(2)
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_diffrn_reflns_Laue_measured_fraction_full 1.000
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_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.1000P)^2^+0.3767P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
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_reflns_number_gt                1955
_reflns_number_total             2456
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            d1ob00846c2.cif
_cod_data_source_block           SM-12E-19_0ma_a
_cod_depositor_comments
;
          Adding full bibliography for 7158116.cif.

2025-04-01
Z value and formula fixed to values more according to usual
chemical conventions.                 miguel
;
_cod_original_formula_sum            'C68 H36 F4 O8 S8'
_cod_original_formula_weight         1313.45
_cod_original_formula_units_Z            1
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               7158116
_shelx_shelxl_version_number     2014/7
_shelx_res_checksum              48207