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01SRC264(1150) - C19H14F4I2N4O

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

Data Collection: Thomas Gelbrichb and Michael B. Hursthouseb

Structure Determination: Thomas Gelbrichb.

University of Aberdeena
University of Southamptonb

C19H14F4I2N4O

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

Identification Number:10.5258/ecrystals/827
Date Created:20 March 2001
Deposited On:12 Jun 2014 14:14
Deposited By:Mr Steve Lamond

Data collection parameters

Chemical formulaC19 H14 F4 I2 N4 O
Crystal morphology
Crystal systemMonoclinic
Space group symbolC2/c
Cell length a31.7811(10)
Cell length b4.52810(10)
Cell length c14.8008(6)
Cell angle alpha90.00
Cell angle beta99.8140(11)
Cell angle gamma90.00
Data collection temperature150(2)

Refinement results

Solution figure of merit
R Factor (Obs)0.0288
R Factor (All)0.0333
Weighted R Factor (Obs)0.0712
Weighted R Factor (All)0.0737

Citation: Plater, John (M.J.) and Gelbrich, Thomas and Hursthouse, Michael B. (2001) University of Southampton, Crystal Structure Report Archive. (doi:10.5258/ecrystals/827)
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