Catalytic Enantioselective [3 + 2] Cycloaddition of α-Keto Ester Enolates and Nitrile Oxides.
Bartlett, Samuel L.; Sohtome, Yoshihiro; Hashizume, Daisuke; White, Peter S.; Sawamura, Miki; Johnson, Jeffrey S.; Sodeoka, Mikiko; Journal of the American Chemical Society 139 (2017) 8661–8666; doi:10.1021/jacs.7b03782

data_4126225
_publ_section_title
;
 Catalytic Enantioselective [3 + 2] Cycloaddition of \a-Keto Ester
 Enolates and Nitrile Oxides.
;
_journal_issue                   25
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              8661
_journal_page_last               8666
_journal_paper_doi               10.1021/jacs.7b03782
_journal_volume                  139
_journal_year                    2017
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_diffrn_source                   'Fine-Focus Sealed Tube'
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_exptl_absorpt_process_details
;
 Numabs
;
_exptl_crystal_colour            colourless
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;
 Flack x determined using 2964 quotients [(I+)-(I-)]/[(I+)+(I-)]
 (Parsons, Flack and Wagner, Acta Cryst. B69 (2013) 249-259).
;
_refine_ls_abs_structure_Flack   -0.02(4)
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_refine_ls_R_factor_all          0.0351
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_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0317P)^2^+0.7645P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
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_reflns_Friedel_fraction_max     0.999
_reflns_number_gt                7200
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_cod_depositor_comments          'Adding full bibliography for 4126225.cif.'
_cod_database_code               4126225
_shelx_shelxl_version_number     2014/7
_shelx_estimated_absorpt_t_min   0.710
_shelx_estimated_absorpt_t_max   0.851
_shelx_res_checksum              2754
_shelx_hkl_checksum              93190