sp<sup>3</sup> C-H Arylation and Alkylation Enabled by the Synergy of Triplet Excited Ketones and Nickel Catalysts.
Shen, Yangyang; Gu, Yiting; Martin, Ruben; Journal of the American Chemical Society 140 (2018) 12200–12209; doi:10.1021/jacs.8b07405

data_4132911
_publ_section_title
;
 sp<sup>3</sup> C-H Arylation and Alkylation Enabled by the Synergy of
 Triplet Excited Ketones and Nickel Catalysts.
;
_journal_issue                   38
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              12200
_journal_page_last               12209
_journal_paper_doi               10.1021/jacs.8b07405
_journal_volume                  140
_journal_year                    2018
_chemical_formula_sum            'C22 H19 Br F3 N2 Ni'
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;
 Fullsphere data collection, phi and omega scans
;
_diffrn_measurement_specimen_support 'magnetic support with MicroMount'
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; 
 CrysAlisPro 1.171.39.12b (Rigaku OD, 2015)
;
_exptl_crystal_colour            'pale red'
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_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0651P)^2^] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
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_reflns_number_gt                6035
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_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            ja8b07405_si_001.cif
_cod_data_source_block           yshen2018_twin1_hklf5
_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 'Triclinic' was changed to
'triclinic' 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 
;
_cod_original_cell_volume        1007.51(9)
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               4132911
_shelx_shelxl_version_number     2014/7
_shelx_estimated_absorpt_t_min   0.943
_shelx_estimated_absorpt_t_max   0.985
_shelx_res_checksum              81105
_shelx_hkl_checksum              25585