On the Treatment of Conformational Flexibility when Using Residual Dipolar Couplings for Structure Determination

Abstract

Mission possible! Die Bewegungsmittelung NMR-spektroskopischer Daten erschwert die Bestimmung der Konformation und relativen Konfiguration flexibler organischer Moleküle. Zwei Ansätze zur Behandlung des Konformationsgleichgewichts einer mäßig flexiblen Verbindung (siehe die Überlagerung der beiden Konformere des untersuchten Butyrolactons) mithilfe dipolarer Restkopplungen werden diskutiert. Detailed facts of importance to specialist readers are published as ”Supporting Information”. Such documents are peer-reviewed, but not copy-edited or typeset. They are made available as submitted by the authors. Please note: The publisher is not responsible for the content or functionality of any supporting information supplied by the authors. Any queries (other than missing content) should be directed to the corresponding author for the article.