C~21~H~34~O - C21H34O

Sample Originator: Nick Greevesa.

Data Collection: Peter N. Hortonb and Michael B. Hursthouseb

Structure Determination: Peter N. Hortonb.

Liverpool Universitya
University of Southamptonb



Controlled Keywords:conformational change, stereochemistry
Date Created:30 November 2005
Deposited On:17 Feb 2010 13:58
Deposited By:Mr Steve Lamond

Depositor Comments

All hydrogen atoms were fixed. There was disorder in the alkyl chain beyond the hydroxyl group. It was not possible to accurately determine the absolute configuration, just the relative configuration.

Data collection parameters

Chemical formulaC21 H34 O
Crystal morphologyShard
Crystal systemtetragonal
Space group symbolI-4
Cell length a16.8137(4)
Cell length b16.8137(4)
Cell length c13.9960(5)
Cell angle alpha90.00
Cell angle beta90.00
Cell angle gamma90.00
Data collection temperature120(2)

Refinement results

Solution figure of merit0.0656
R Factor (Obs)0.0460
R Factor (All)0.0570
Weighted R Factor (Obs)0.1039
Weighted R Factor (All)0.1088

Citation: Greeves, Nick and Horton, Peter N. and Hursthouse, Michael B. (2005) University of Southampton, Crystal Structure Report Archive. (http://ecrystals.chem.soton.ac.uk/1123/)
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