Use of local alignment tensors for the determination of relative configurations in organic compounds.
In this proof of principle the use of local alignment tensors for the determination of relative configurations in moderately flexible molecules is demonstrated. These tensors are derived from residual dipolar couplings. Two methods for the analysis of partly linearly dependent RDCs in a rigid molecular fragment are also presented.
Thiele
Christina M
CM
Clemens Schöpf Institut für Organische Chemie und Biochemie, Technische Universität Darmstadt, Petersenstr. 22, D-64287 Darmstadt, Germany. cmt@punk.oc.chemie.tu-darmstadt.de
Maliniak
Arnold
A
Stevensson
Baltzar
B