A Nucleophilic Strategy for Enantioselective Intermolecular α-Amination: Access to Enantioenriched α-Arylamino Ketones.
Miles, Dillon H.; Guasch, Joan; Toste, F. Dean; Journal of the American Chemical Society 137 (2015) 7632–7635; doi:10.1021/jacs.5b04518

data_4123819
_publ_section_title
;
 A Nucleophilic Strategy for Enantioselective Intermolecular \a-Amination:
 Access to Enantioenriched \a-Arylamino Ketones.
;
_journal_issue                   24
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              7632
_journal_page_last               7635
_journal_paper_doi               10.1021/jacs.5b04518
_journal_volume                  137
_journal_year                    2015
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_symmetry_space_group_name_Hall  'P 2ac 2ab'
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_computing_cell_refinement       'Bruker SAINT'
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_diffrn_source                   'microfocus rotating anode'
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; 
 Flack x determined using 1709 quotients [(I+)-(I-)]/[(I+)+(I-)] 
 (Parsons, Flack and Wagner, Acta Cryst. B69 (2013) 249-259). 
;
_refine_ls_abs_structure_Flack   0.07(3)
_refine_ls_extinction_method     none
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_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0414P)^2^+0.5554P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0747
_refine_ls_wR_factor_ref         0.0749
_reflns_Friedel_coverage         0.733
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_reflns_Friedel_fraction_max     0.997
_reflns_number_gt                4061
_reflns_number_total             4089
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            ja5b04518_si_001.cif
_cod_data_source_block           toste126
_cod_depositor_comments
;Adding full bibliography for 4123819.cif.

The following automatic conversions were performed:

'_space_group.centring_type' value 'primitive' was replaced with the
value 'P' as specified in the replacement file
'/home/antanas/src/cod-tools/trunk/data/replacement-values/replacement_values.lst'.

Automatic conversion script
Id: cif_fix_values 5642 2017-10-24 12:04:52Z antanas 
;
_cod_database_code               4123819
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