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The structure of 11[alpha]-hydroxycon-1,4-dienine-3-one monohydrate

Radhakrishnan, R and Viswamitra, MA and Bhutani, KK and Ali, M (1988) The structure of 11[alpha]-hydroxycon-1,4-dienine-3-one monohydrate. In: Acta Crystallographica Section C, 44 . pp. 518-521.

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Abstract

C22H31NO2.H2 O, M r = 359" 5, orthorhombic,P2~212 ~, a= 10.032 (1), b= 11.186 (1), C = 17.980 (1)/~,, U= 2017.48/~3, Z = 4, D x = 1.276 Mg m -a, 2(Cu Kct) = 1.5418/~, # = 0.69 mm -~,F(000) = 784, T = 293 K. Final R = 0.05 for 1972 unique reflections with I > 3o(/). Ring A is planar, and rings B and C adopt a chair conformation. Rings D and E are envelopes, with C(14) and C(20) displaced from their respective ring planes by 0-616 (2) and 0.648 (3)/~. The A/B ring junction is quasi-trans,whilst ring systems B/C and C/D are trans fused about the bonds C(8)-C(9) and C(13)-C(14) respectively.The D/E junction shows cis fusion.

Item Type: Journal Article
Additional Information: Copyright of this article belongs to International Union of Crystallography.
Department/Centre: Division of Biological Sciences > Microbiology & Cell Biology
Division of Biological Sciences > Molecular Reproduction, Development & Genetics (formed by the merger of DBGL and CRBME)
Division of Physical & Mathematical Sciences > Physics
Date Deposited: 11 Oct 2010 08:45
Last Modified: 11 Oct 2010 08:45
URI: http://eprints.iisc.ernet.in/id/eprint/33048

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