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. 2021 Dec 29;13(5):1323–1334. doi: 10.1039/d1sc05749a

The energetic span (δE, in kcal mol−1) for both the DAPCy configurations beginning from stereochemically different possible binding modes of allyl alcohol in the catalyst–substrate complex.

Endo-re Exo-si Endo-si Exo-re
(S,R,S)-DAPCy 14.1 10.6 11.2 13.0
(S,S,S)-DAPCy 15.1 12.3 13.0 12.6