title: Probing heterocycle conformation with residual dipolar couplings.
abstract: 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 (1)D(CH) RDCs and DFT molecular modelling data.
authors.affiliation: Department of Chemistry, Carnegie Mellon University, 4400 Fifth Avenue, Pittsburgh, Pennsylvania 15213, USA.
authors.forename: Chakicherla
authors.initials: C
authors.lastname: Gayathri
authors.forename: M Carmen
authors.initials: MC
authors.lastname: de la Fuente
authors.forename: Burkhard
authors.initials: B
authors.lastname: Luy
authors.forename: Roberto R
authors.initials: RR
authors.lastname: Gil
authors.forename: Armando
authors.initials: A
authors.lastname: Navarro-Vázquez