Joshi, Balawant S. ; William Pelletier, S. ; Ali, A. A. ; Holt, Elizabeth M. ; Phillip Bowen, J. ; Ehlers, Tedman (2000) Crystal and molecular structure of augustamine Journal of Chemical Crystallography, 30 (2). pp. 135-138. ISSN 1074-1542
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Official URL: http://www.springerlink.com/content/h23g17992v707w...
Related URL: http://dx.doi.org/10.1023/A:1009577914802
Abstract
The crystal and molecular structure of augustamine (1), C17H19NO4 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 P212121, with cell parameters: a = 7.833(8) b = 11.08(2) å, c = 16.69(6) Å, Z = 4, Dc = 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.
| Item Type: | Article |
|---|---|
| Source: | Copyright of this article belongs to Springer. |
| Keywords: | Alkaloid; Tazettine Type; Amaryllidaceae; Crystal Structure; Molecular Mechanics |
| ID Code: | 86862 |
| Deposited On: | 14 Mar 2012 07:30 |
| Last Modified: | 14 Mar 2012 07:30 |
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