Probing heterocycle conformation with residual dipolar couplings

Residual dipolar couplings (RDCs) obtained in a stretched polydimethylsiloxane gel are applied to determine the 7-membered ring conformation in a 2-phenyl-3-benzazepine derivative, and to simultaneously assign all methylene proton pairs using only 1DCH RDCs and DFT molecular modelling data.