Sample Originator: Terry L. Threlfalla.

Data Collection: Susanne L. Coles (née Huth)a

Structure Determination: Susanne L. Coles (née Huth)a and Michael B. Hursthousea.

University of Southamptona



Identification Number:10.5258/ecrystals/1372
Date Created:06 July 2008
Deposited On:30 Mar 2011 17:58
Deposited By:Mrs L. Susanne Coles (née) Huth

Data collection parameters

Chemical formulaC9 H8 F3 N O
Crystal morphologyCut Lath
Crystal systemOrthorhombic
Space group symbolP 21 21 21
Cell length a5.1717(8)
Cell length b9.7527(13)
Cell length c17.811(2)
Cell angle alpha90.00
Cell angle beta90.00
Cell angle gamma90.00
Data collection temperature120(2)

Refinement results

Solution figure of merit0.0448
R Factor (Obs)0.0823
R Factor (All)0.1571
Weighted R Factor (Obs)0.1398
Weighted R Factor (All)0.1700

Citation: Coles (née Huth), Susanne L. and Threlfall, Terry L. and Hursthouse, Michael B. (2008) University of Southampton, Crystal Structure Report Archive. (doi:10.5258/ecrystals/1372)
Export as: oreChem EndNote BibTeX ASCII Citation

Repository Staff Only: item control page