Palladium-Catalyzed Stereoselective Formation of Substituted Allylic Thioethers and Sulfones.
Gómez, José Enrique; Guo, Wusheng; Kleij, Arjan W.; Organic letters 18 (2016) 6042–6045; doi:10.1021/acs.orglett.6b02981

data_1555908
_publ_section_title
;
 Palladium-Catalyzed Stereoselective Formation of Substituted Allylic
 Thioethers and Sulfones.
;
_journal_issue                   23
_journal_name_full               'Organic letters'
_journal_page_first              6042
_journal_page_last               6045
_journal_paper_doi               10.1021/acs.orglett.6b02981
_journal_volume                  18
_journal_year                    2016
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;
 Fullsphere data collection, phi and omega scans
;
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; 
 SADABS Version 2008/1 Bruker-Nonius
 Blessing, Acta Cryst. (1995) A51 33-38
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;
 Flack x determined using 1448 quotients [(I+)-(I-)]/[(I+)+(I-)]
 (Parsons, Flack and Wagner, Acta Cryst. B69 (2013) 249-259).
;
_refine_ls_abs_structure_Flack   -0.08(5)
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_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0662P)^2^+0.1579P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
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_refine_ls_wR_factor_ref         0.1038
_reflns_Friedel_coverage         0.566
_reflns_Friedel_fraction_full    0.773
_reflns_Friedel_fraction_max     0.645
_reflns_number_gt                4086
_reflns_number_total             4205
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            ol6b02981_si_002.cif
_cod_data_source_block           mo_JEG24_0m
_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/saulius/struct/COD-crude-data/automatic-downloads/DataCite-retrospective/ACS/depositions/lib/dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 last updated on
2011-04-26.

data item '_symmetry_cell_setting' value 'Monoclinic' was changed to
'monoclinic' in accordance with the
/home/saulius/struct/COD-crude-data/automatic-downloads/DataCite-retrospective/ACS/depositions/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 6909 2019-04-08 15:41:33Z antanas 
;
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_cod_database_code               1555908
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_shelx_hkl_checksum              59391