Visible Light Copper Photoredox-Catalyzed Aerobic Oxidative Coupling of Phenols and Terminal Alkynes: Regioselective Synthesis of Functionalized Ketones via C≡C Triple Bond Cleavage.
Sagadevan, Arunachalam; Charpe, Vaibhav Pramod; Ragupathi, Ayyakkannu; Hwang, Kuo Chu; Journal of the American Chemical Society 139 (2017) 2896–2899; doi:10.1021/jacs.6b13113

data_4125644
_publ_section_title
;
 Visible Light Copper Photoredox-Catalyzed Aerobic Oxidative Coupling of
 Phenols and Terminal Alkynes: Regioselective Synthesis of Functionalized
 Ketones via C\\tb C Triple Bond Cleavage.
;
_journal_issue                   8
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              2896
_journal_page_last               2899
_journal_paper_doi               10.1021/jacs.6b13113
_journal_volume                  139
_journal_year                    2017
_chemical_formula_sum            'C14 H8 N O2'
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_space_group_name_Hall           '-C 2yc'
_space_group_name_H-M_alt        'C 1 2/c 1'
_symmetry_space_group_name_Hall  '-C 2yc'
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_computing_cell_refinement       'SAINT V8.34A (Bruker AXS Inc., 2013)'
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_diffrn_measurement_method       '\f and \w scans'
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_exptl_crystal_description       Acicular
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;
;
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_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0654P)^2^] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
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_reflns_number_total             2867
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            ja6b13113_si_004.cif
_cod_data_source_block           mo_160410lts
_cod_depositor_comments
;
The following automatic conversions were performed:

'_exptl_crystal_density_meas' value 'not measured' was changed to '?'
- the value is perceived as not measured.

Automatic conversion script
Id: cif_fix_values 4973 2017-02-22 13:04:09Z antanas 
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_cod_database_code               4125644
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_shelx_res_checksum              43583
_shelx_hkl_checksum              46962