2010pa036 - C13 H6 F5 N

Sample Originator: Terence L. Threlfalla.

Data Collection: Philip D F Adlera

Structure Determination: Philip D F Adlera, Graham J. Tizzarda and Simon J. Colesa.

University of Southamptona

C13 H6 F5 N

Identification Number:10.5258/ecrystals/1313
Controlled Keywords:Organic Compounds
Date Created:26 August 2010
Deposited On:28 Mar 2012 13:09
Deposited By:Mr Philip D. F. Adler

Depositor Comments

Compound Code: TLT676/6

Data collection parameters

Chemical formulaC13 H6 F5 N
Crystal morphology
Crystal systemMonoclinic
Space group symbolC2/c
Cell length a26.110(2)
Cell length b7.3243(5)
Cell length c36.660(3)
Cell angle alpha90.00
Cell angle beta110.593(5)
Cell angle gamma90.00
Data collection temperature120(2)

Refinement results

Solution figure of merit
R Factor (Obs)0.0746
R Factor (All)0.2764
Weighted R Factor (Obs)0.0994
Weighted R Factor (All)0.1446

Citation: Adler, Philip D F and Threlfall, Terence L. and Tizzard, Graham J. and Coles, Simon J. (2010) University of Southampton, Crystal Structure Report Archive. (doi:10.5258/ecrystals/1313)
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