C~20~H~30~O - C20H30O

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:stereochemistry, conformational change
Date Created:02 December 2005
Deposited On:17 Feb 2010 14:02
Deposited By:Mr Steve Lamond

Depositor Comments

All hydrogen atoms were fixed. There are two different molecules in the asymmetric unit, and one has disorder with one of its C=C double bonds.

Data collection parameters

Chemical formulaC20 H30 O
Crystal morphologySlab
Crystal systemtriclinic
Space group symbolP-1
Cell length a11.3934(4)
Cell length b12.6752(4)
Cell length c13.6061(4)
Cell angle alpha72.138(2)
Cell angle beta78.922(2)
Cell angle gamma82.029(2)
Data collection temperature120(2)

Refinement results

Solution figure of merit0.0414
R Factor (Obs)0.0572
R Factor (All)0.0850
Weighted R Factor (Obs)0.1331
Weighted R Factor (All)0.1474

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/1126/)
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