Iron-catalyzed carboarylation of alkynes <i>via</i> activation of π-activated alcohols: rapid synthesis of substituted benzofused six-membered heterocycles.
Chanda, Rupsa; Kar, Abhishek; Das, Aniruddha; Chakraborty, Baitan; Jana, Umasish; Organic & biomolecular chemistry 19 (2021) 5155–5160; doi:10.1039/d1ob00488c

data_7158094
_publ_section_title
;
 Iron-catalyzed carboarylation of alkynes <i>via</i> activation of
 \p-activated alcohols: rapid synthesis of substituted benzofused
 six-membered heterocycles.
;
_journal_issue                   23
_journal_name_full               'Organic &amp; biomolecular chemistry'
_journal_page_first              5155
_journal_page_last               5160
_journal_paper_doi               10.1039/d1ob00488c
_journal_volume                  19
_journal_year                    2021
_chemical_formula_moiety         'C35 H28 Br N O2 S'
_chemical_formula_sum            'C33 H28 Br N3 O2 S'
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_audit_update_record
;
2020-02-05 deposited with the CCDC.	2021-05-13 downloaded from the CCDC.
;
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_diffrn_source                   'fine-focus sealed tube'
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_exptl_crystal_density_diffrn    1.360
_exptl_crystal_description       needle
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_refine_ls_shift/su_max          0.001
_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          0.1404
_refine_ls_wR_factor_ref         0.1649
_reflns_Friedel_coverage         0.000
_reflns_number_gt                3969
_reflns_number_total             6126
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            d1ob00488c2.cif
_cod_data_source_block           UJ_RC_95_0m
_cod_depositor_comments          'Adding full bibliography for 7158094.cif.'
_cod_original_cell_volume        5961.7(8)
_cod_original_sg_symbol_H-M      'C 2/c'
_cod_database_code               7158094
_shelx_shelxl_version_number     2016/6
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