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01SRC265(1151) - C20H14F4N4I2O2

Sample Originator: John (M.J.) Platera.

Data Collection: Thomas Gelbrichb and Michael B. Hursthouseb

Structure Determination: Thomas Gelbrichb.

University of Aberdeena
University of Southamptonb

C20H14F4N4I2O2

InChI=1/C7H8N2O.C3H3F2I/c10-6-9-5-7-2-1-3-8-4-7;4-1-3(6)2-5/h1-4,6H,5H2,(H,9,10);1H,2H2/b;3-1

Date Created:20 March 2001
Deposited On:23 Dec 2014 13:00
Deposited By:Mr Steve Lamond

Data collection parameters

Chemical formulaC20 H14 F4 I2 N4 O2
Crystal morphology
Crystal systemTriclinic
Space group symbolP-1
Cell length a5.02970(10)
Cell length b10.2309(4)
Cell length c11.1000(4)
Cell angle alpha78.063(1)
Cell angle beta79.047(2)
Cell angle gamma83.871(2)
Data collection temperature150(2)

Refinement results

Solution figure of merit
R Factor (Obs)0.0341
R Factor (All)0.0355
Weighted R Factor (Obs)0.0895
Weighted R Factor (All)0.0909

Citation: Plater, John (M.J.) and Gelbrich, Thomas and Hursthouse, Michael B. (2001) University of Southampton, Crystal Structure Report Archive. (http://ecrystals.chem.soton.ac.uk/828/)
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