Residual Chemical Shift Anisotropy (RCSA): A Tool for the Analysis of the Configuration of Small Molecules

Residual Chemical Shift Anisotropy (RCSA): A Tool for the Analysis of the Configuration of Small Molecules

Together we are strong: A new, robust method allows the measurement of residual chemical shift anisotropies for the determination of conformation and configuration of molecules in organic solvents. The power of the method is shown by the example of estrone and 13‐epi‐estrone (see structures), where...

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Veröffentlicht in:Angewandte Chemie International Edition 2011-09, Vol.50 (40), p.9487-9490
Hauptverfasser: Hallwass, Fernando, Schmidt, Manuel, Sun, Han, Mazur, Adam, Kummerlöwe, Grit, Luy, Burkhard, Navarro-Vázquez, Armando, Griesinger, Christian, Reinscheid, Uwe M.
Format: Artikel
Sprache:eng
Schlagworte:
Anisotropy
configuration determination
density functional calculations
estrone
Estrone - chemistry
Models, Chemical
NMR spectroscopy
Nuclear Magnetic Resonance, Biomolecular - methods
residual chemical shift anisotropy
residual dipolar coupling
Solvents
Stereoisomerism
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Beschreibung
Zusammenfassung:Together we are strong: A new, robust method allows the measurement of residual chemical shift anisotropies for the determination of conformation and configuration of molecules in organic solvents. The power of the method is shown by the example of estrone and 13‐epi‐estrone (see structures), where only the combined use of residual chemical shift anisotropies and residual dipolar couplings leads to the distinction of the two diastereomers.
ISSN:1433-7851
1521-3773
DOI:10.1002/anie.201101784