Interproton Distance Determinations by NOE – surprising accuracy and precision in a rigid organic molecule

Craig P. Butts*, Catharine R. Jones, Emma C. Towers, Jennifer L. Flynn, Lara Appleby, Nick J Barron

*Corresponding author for this work

Research output: Contribution to journalArticle (Academic Journal)

85 Citations (Scopus)

Abstract

The accuracy inherent in the measurement of interproton distances in small molecules by nuclear Overhauser enhancement (NOE) and rotational Overhauser enhancement (ROE) methods is investigated with the rigid model compound strychnine. The results suggest that interproton distances can be established with a remarkable level of accuracy, within a few percent of their true values, using a straight-forward data analysis method if experiments are conducted under conditions that support the initial rate approximation. Dealing with deviations from these conditions and other practical issues regarding these measurements are discussed

Original languageEnglish
Pages (from-to)177-184
Number of pages8
JournalOrganic and Biomolecular Chemistry
Volume9
Issue number1
Early online date2 Nov 2010
DOIs
Publication statusPublished - 2011

Structured keywords

  • BCS and TECS CDTs

Keywords

  • NMR-SPECTRA
  • CROSS-RELAXATION RATES

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