C~14~H~16~O~3~ - C14H16O3

Sample Originator: Keith Smitha.

Data Collection: Simon J. Colesb and Michael B. Hursthouseb

Structure Determination: Simon J. Colesb.

University College of Swanseaa
University of Southamptonb



Controlled Keywords:organic compounds
Date Created:10 January 2005
Deposited On:16 Feb 2010 16:13
Deposited By:Mr Steve Lamond

Data collection parameters

Chemical formulaC14 H16 O3
Crystal morphologySlab
Crystal systemOrthorhombic
Space group symbolP2(1)2(1)2(1)
Cell length a6.2521(3)
Cell length b9.3237(17)
Cell length c20.809(4)
Cell angle alpha90.00
Cell angle beta90.00
Cell angle gamma90.00
Data collection temperature120(2)

Refinement results

Solution figure of merit0.0608
R Factor (Obs)0.0306
R Factor (All)0.0316
Weighted R Factor (Obs)0.0794
Weighted R Factor (All)0.0802

Citation: Smith, Keith and Coles, Simon J. and Hursthouse, Michael B. (2005) University of Southampton, Crystal Structure Report Archive. (http://ecrystals.chem.soton.ac.uk/1128/)
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