The Bull-James assembly as a chiral auxiliary and shift reagent in kinetic resolution of alkyne amines by the CuAAC reaction.
Brittain, William D. G.; Chapin, Brette M.; Zhai, Wenlei; Lynch, Vincent M.; Buckley, Benjamin R.; Anslyn, Eric V.; Fossey, John S.; Organic & biomolecular chemistry 14 (2016) 10778–10782; doi:10.1039/c6ob01623e

data_7155272
_publ_section_title
;
 The Bull-James assembly as a chiral auxiliary and shift reagent in
 kinetic resolution of alkyne amines by the CuAAC reaction.
;
_journal_issue                   46
_journal_name_full               'Organic &amp; biomolecular chemistry'
_journal_page_first              10778
_journal_page_last               10782
_journal_paper_doi               10.1039/c6ob01623e
_journal_volume                  14
_journal_year                    2016
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_chemical_formula_moiety         'C43 H31 B N4 O2'
_chemical_formula_sum            'C43 H31 B N4 O2'
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2016-05-03 deposited with the CCDC.
2016-08-15 downloaded from the CCDC.
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'CrysAlisPro V 1.171.37.31, Agilent Technologies'
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'CrysAlisPro V 1.171.37.31, Agilent Technologies'
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;

SUPERFLIP.  Palatinus, L. and Chapuis, G., J. Appl. Cryst. 40, 786-790.
;
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;
CrysAlisPro 1.171.38.27t (Agilent, 2015)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
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;
 Refined as an inversion twin.
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_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0505P)^2^+0.4821P] where P=(Fo^2^+2Fc^2^)/3'
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_reflns_number_gt                6473
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_cod_depositor_comments          'Adding full bibliography for 7155272.cif.'
_cod_database_code               7155272
_shelx_shelxl_version_number     2014/7
_shelx_estimated_absorpt_t_min   0.911
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