Issue 1, 2011
From the journal:

Organic & Biomolecular Chemistry

Interproton distance determinations by NOE – surprising accuracy and precision in a rigid organic molecule

Craig P. Butts,*a   Catharine R. Jones,a   Emma C. Towers,a   Jennifer L. Flynn,a   Lara Applebya  and  Nicholas J. Barrona  

* Corresponding authors

a School of Chemistry, University of Bristol, Cantocks Close, Bristol, United Kingdom
E-mail: Craig.Butts@bris.ac.uk
Fax: +44 117925 1295
Tel: +44 117 9288115

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

Graphical abstract: Interproton distance determinations by NOE – surprising accuracy and precision in a rigid organic molecule

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Article information

DOI
https://doi.org/10.1039/C0OB00479K
Article type
Paper
Submitted
23 Jul 2010
Accepted
20 Sep 2010
First published
02 Nov 2010

Org. Biomol. Chem., 2011,9, 177-184

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Interproton distance determinations by NOE – surprising accuracy and precision in a rigid organic molecule

C. P. Butts, C. R. Jones, E. C. Towers, J. L. Flynn, L. Appleby and N. J. Barron, Org. Biomol. Chem., 2011, 9, 177 DOI: 10.1039/C0OB00479K

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