Sample Originator: N Tomkinsona.

Data Collection: Simon J. Colesb

Structure Determination: Simon J. Colesb and Michael B. Hursthouseb.

Cardiff Universitya
University of Southamptonb

C13H19N2O . PF6


Identification Number:10.5258/ecrystals/308
Date Created:16 May 2007
Deposited On:21 Jan 2008 15:30
Deposited By:Dr Simon J Coles

Data collection parameters

Chemical formulaC13 H19 F6 N2 O P
Crystal morphologyShard
Crystal systemOrthorhombic
Space group symbolP2(1)2(1)2(1)
Cell length a11.7560(4)
Cell length b15.6189(3)
Cell length c18.4464(6)
Cell angle alpha90.00
Cell angle beta90.00
Cell angle gamma90.00
Data collection temperature293(2)

Refinement results

Solution figure of merit0.2439
R Factor (Obs)0.0549
R Factor (All)0.1229
Weighted R Factor (Obs)0.1265
Weighted R Factor (All)0.1542

Citation: Tomkinson, N and Coles, Simon J. and Hursthouse, Michael B. (2007) University of Southampton, Crystal Structure Report Archive. (doi:10.5258/ecrystals/308)
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