Article

Determination of the relative configuration of a five-membered lactone from residual dipolar couplings.

Institut für Analytische Chemie, Universität Leipzig, Germany.
Angewandte Chemie International Edition (impact factor: 13.45). 08/2006; 45(27):4455-60. DOI:10.1002/anie.200503247 pp.4455-60
Source: PubMed
0 0
 · 
0 Bookmarks
 · 
27 Views
  • Source
    Article: Cross-Fitting of Residual Dipolar Couplings
    Grit Kummerlöwe, Sebastian Schmitt, Burkhard Luy
    [show abstract] [hide abstract]
    ABSTRACT: Residual dipolar couplings (RDCs) are important NMR-parameters for the structure determination of organic molecules. In this article we describe how RDCs can be used to effectively transfer structural information by cross-fitting the anisotropic parameters of molecules with similar overall structure. Using the example of 5--cholestan-3-one and cho-lesterol, it is possible to distinguish diastereomers of the compounds by cross-fitting with transferred alignment tensors, even when strongly reduced subsets of RDCs are used. It is also demonstrated that RDCs can be used for direct cross-fitting even in flexible parts of the molecules that are sufficiently similar in structure and dynamic behavior. The cross-fitting approach as a general tool is discussed in details.
Data provided are for informational purposes only. Although carefully collected, accuracy cannot be guaranteed. The impact factor represents a rough estimation of the journal's impact factor and does not reflect the actual current impact factor. Publisher conditions are provided by RoMEO. Differing provisions from the publisher's actual policy or licence agreement may be applicable.

Christina M Thiele