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Determination of Absolute Configuration Using Single Crystal X-Ray Diffraction

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Metabolomics Tools for Natural Product Discovery

Part of the book series: Methods in Molecular Biology ((MIMB,volume 1055))

Abstract

Single crystal X-ray crystallography is the most powerful structural method for the determination of the 3D structures of molecules. While the results of a routine diffraction experiment readily provide unambiguous determination of the relative configuration of all stereogenic centers in the molecule, determination of absolute configuration is more challenging. This chapter provides some helpful tips towards increasing the chances of success in the determination of the absolute configuration of a chiral, enantiomerically pure natural product using X-ray crystallography.

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Author information

Authors and Affiliations

  1. School of Chemistry, The University of Melbourne, Melbourne, Australia

    Abigail L. Albright & Jonathan M. White

  2. Bio21 Institute (Molecular Science and Biotechnology Institute), The University of Melbourne, Melbourne, Australia

    Abigail L. Albright & Jonathan M. White

Authors
  1. Abigail L. Albright
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  2. Jonathan M. White
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Editor information

Editors and Affiliations

  1. Parkville, Australia

    Ute Roessner

  2. School of Botany, The University of Melbourne, Parkville, Victoria, Australia

    Daniel Anthony Dias

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Albright, A.L., White, J.M. (2013). Determination of Absolute Configuration Using Single Crystal X-Ray Diffraction. In: Roessner, U., Dias, D. (eds) Metabolomics Tools for Natural Product Discovery. Methods in Molecular Biology, vol 1055. Humana Press, Totowa, NJ. https://doi.org/10.1007/978-1-62703-577-4_11

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  • DOI: https://doi.org/10.1007/978-1-62703-577-4_11

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  • Publisher Name: Humana Press, Totowa, NJ

  • Print ISBN: 978-1-62703-576-7

  • Online ISBN: 978-1-62703-577-4

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