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Issue 1, 2011
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Interproton distance determinations by NOE – surprising accuracy and precision in a rigid organic molecule

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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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Publication details

The article was received on 23 Jul 2010, accepted on 20 Sep 2010 and first published on 02 Nov 2010


Article type: Paper
DOI: 10.1039/C0OB00479K
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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