Divergent Reactivity of Sulfinates with Pyridinium Salts Based on One- versus Two-Electron Pathways
Kim, Myojeong; You, Euna; Park, Seongjin; Hong, Sungwoo; Chemical Science  (2021) –; doi:10.1039/D1SC00776A

data_1561397
_publ_section_title
;
 Divergent Reactivity of Sulfinates with Pyridinium Salts Based on One-
 versus Two-Electron Pathways
;
_journal_name_full               'Chemical Science'
_journal_paper_doi               10.1039/D1SC00776A
_journal_year                    2021
_chemical_formula_moiety         'C19 H14 F3 N O2 S'
_chemical_formula_sum            'C19 H14 F3 N O2 S'
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_audit_update_record
;
2021-01-20 deposited with the CCDC.	2021-03-31 downloaded from the CCDC.
;
_cell_angle_alpha                90
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_diffrn_measured_fraction_theta_max 0.994
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_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+11.5275P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
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_refine_ls_wR_factor_ref         0.2055
_reflns_Friedel_coverage         0.000
_reflns_number_gt                3012
_reflns_number_total             3551
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            d1sc00776a2.cif
_cod_data_source_block           A20275O_014
_cod_depositor_comments
;
The following automatic conversions were performed:

data item '_exptl_absorpt_correction_type' value 'MULTI-SCAN' was
changed to 'multi-scan' in accordance with the
/home/data/users/saulius/crontab/automatic-downloads/rss-feeds/RSC/lib/dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 last updated on
2011-04-26.

Automatic conversion script
Id: cif_fix_values 7556 2019-12-06 15:28:31Z antanas 
;
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               1561397
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_shelx_estimated_absorpt_t_max   0.993
_shelx_res_checksum              20947
_shelx_hkl_checksum              30754