Visible-Light Photocatalysis of Eosin Y: HAT and Complementing MS-CPET Strategy to Trifluoromethylation of β-Ketodithioesters with Langlois' Reagent.
Soni, Sonam; Pali, Pragya; Ansari, Monish Arbaz; Singh, Maya Shankar; The Journal of organic chemistry  (2020) –; doi:10.1021/acs.joc.0c01355

data_4038593
_publ_section_title
;
 Visible-Light Photocatalysis of Eosin Y: HAT and Complementing MS-CPET
 Strategy to Trifluoromethylation of \b-Ketodithioesters with Langlois'
 Reagent.
;
_journal_name_full               'The Journal of organic chemistry'
_journal_paper_doi               10.1021/acs.joc.0c01355
_journal_year                    2020
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_cell_length_c                   24.8721(13)
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_cell_measurement_temperature    273(2)
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_cell_measurement_theta_min      2.672
_cell_volume                     1455.27(13)
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_computing_structure_solution    'SHELXT 2014/5 (Sheldrick, 2014)'
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_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc^2^\l^3^/sin(2\q)]^-1/4^
_refine_ls_extinction_method     'SHELXL-2018/3 (Sheldrick 2018)'
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_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0510P)^2^+0.8935P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
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_reflns_number_gt                2989
_reflns_number_total             3596
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            jo0c01355_si_001.cif
_cod_data_source_block           shelx
_cod_depositor_comments
;

2025-09-12
Z value and formula fixed to values more according to usual
chemical conventions.                 miguel
;
_cod_original_formula_sum            'C30 H22 F6 N0 O2 S4'
_cod_original_formula_weight         656.71
_cod_original_formula_units_Z            2
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