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. Author manuscript; available in PMC: 2013 Mar 5.
Published in final edited form as: Angew Chem Int Ed Engl. 2012 Jan 26;51(10):2391–2394. doi: 10.1002/anie.201107597

Table 3.

Calculated and experimental percent enantiomeric excesses.

Catalyst Calculated[a]
%ee
Experimental
%ee
7 62 80
8 51 74
9 80 93
a

M06-2X/6-31+G(d,p),CPCM(MeOH)//B3LYP/6-31G(d), CPCM(MeOH).