Crystal and molecular structure of augustamine
Source: Journal of Chemical Crystallography, Volume 30, Number 2, February 2000 , pp. 135-138(4)
Abstract:The crystal and molecular structure of augustamine (1), C_17H_19NO_4, an amaryllidaceae alkaloid of the tazettine group has been determined by direct methods from single crystal x-ray diffractometer data and refined by full-matrix least squares. The alkaloid (1) crystallizes in the space group P2_12_12_1, with cell parameters: a = 7.833(8) b = 11.08(2) å, c = 16.69(6) Å, Z = 4, D_c = 1.381 g/cm^−3, R = 7.6% for 1115 observed reflections. The molecule, having a hexacyclic ring system, is very rigid with the ring B in a chair conformation. Molecular mechanics calculations have been made using MM3(2000) force field.
Document Type: Regular Paper
Affiliations: 1: Institute for Natural Products Research, The University of Georgia, Athens, Georgia 30602-2556 2: Department of Chemistry, Oklahoma State University, Stillwater, Oklahoma 74078 3: Computational Center for Molecular Structure and Design, Department of Chemistry, The University of Georgia, Athens, Georgia 30602-2556
Publication date: 2000-02-01