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Crystal structure of a daturalactone - a withanolide

Padha, N and Kalyandas, * and Dhar, KL and Goswami, KN (1994) Crystal structure of a daturalactone - a withanolide. In: Crystal Research and Technology, 29 (8). pp. 1077-1084.

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The crystal structure of a daturalactone derivative has been determined by X-ray structural analysis. The compound crystallizes in orthorhomic space group P2(1)2(1)2(1) with cell parameters a = 15.141(1) angstrom, b = 18.425(1) angstrom, c = 19.251(2) angstrom. The structure was solved by direct methods and refined to R = 0.082. The asymmetric unit contains two non-equivalent molecules. Extensive hydrogen bonding is present. The conformations of the rings are A: a distorted half-chair, B: a perfect half-chair, C: a chair, D: an envelope-half chair and E: a twist boat. Ring junctions A/B, B/C, C/D are all trans fused. Methyl carbons C(18), C(19), C(27) and the lactone moiety is beta-oriented whereas the methyl carbons C(21) and C(28) are alpha-oriented.

Item Type: Journal Article
Publication: Crystal Research and Technology
Publisher: John Wiley and Sons
Additional Information: Copyright of this article belongs to John Wiley and Sons.
Department/Centre: Others
Date Deposited: 03 Jun 2011 05:01
Last Modified: 03 Jun 2011 05:01
URI: http://eprints.iisc.ac.in/id/eprint/36388

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