Probing heterocycle conformation with residual dipolar couplings.

نویسندگان

  • Chakicherla Gayathri
  • M Carmen de la Fuente
  • Burkhard Luy
  • Roberto R Gil
  • Armando Navarro-Vázquez
چکیده

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.

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عنوان ژورنال:
  • Chemical communications

دوره 46 32  شماره 

صفحات  -

تاریخ انتشار 2010