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Issue 32, 2010
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Probing heterocycle conformation with residual dipolar couplings

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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 1DCH RDCs and DFT molecular modelling data.

Graphical abstract: Probing heterocycle conformation with residual dipolar couplings

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Article information


Submitted
06 May 2010
Accepted
14 Jun 2010
First published
13 Jul 2010

Chem. Commun., 2010,46, 5879-5881
Article type
Communication

Probing heterocycle conformation with residual dipolar couplings

C. Gayathri, M. C. de la Fuente, B. Luy, R. R. Gil and A. Navarro-Vázquez, Chem. Commun., 2010, 46, 5879
DOI: 10.1039/C0CC01271H

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