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Structure of pregna-4,16-diene-7[alpha],14[alpha]-diol-3,20-dione

Dastidar, P and Joseph, T and Madyastha, KM and Row, Guru TN (1993) Structure of pregna-4,16-diene-7[alpha],14[alpha]-diol-3,20-dione. In: Acta Crystallographica Section C, 49 (Part 1). pp. 62-64.

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Abstract

7a,14a-Dihydroxypregna-4,16-diene-3,20- dione, C21H2804, M r = 344.45, orthorhombic, P212121, a = 7.136 (1), b = 12.342 (1), c = 20.049 (3)/k, V= 1765.7 (3)/k 3, Z = 4, Dx = 1.295 g cm -3, A(Cu Kte) = 1.5418/k, /z = 6.7 cm- a, F(000) = 744, T = 293 K, R = 0.048 for 1345 observations. The A ring may be described as in a l a,2flhalf- chair conformation or a l a-sofa conformation. The B and C rings adopt normal chair conformations and the D ring has a 14a-envelope conforma tion. The molecules are held together by a hydrogen bond [0(3)...0(7)= 2.767 A].

Item Type: Journal Article
Additional Information: Copyright of this article belongs to International Union of Crystallography.
Department/Centre: Division of Chemical Sciences > Organic Chemistry
Date Deposited: 28 Feb 2011 05:59
Last Modified: 28 Feb 2011 05:59
URI: http://eprints.iisc.ernet.in/id/eprint/35776

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