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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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Publication details

The article was received on 06 May 2010, accepted on 14 Jun 2010 and first published on 13 Jul 2010


Article type: Communication
DOI: 10.1039/C0CC01271H
Citation: Chem. Commun., 2010,46, 5879-5881
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    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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