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 |
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| Deposited On: | 23 Dec 2014 13:00 |
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| Deposited By: | Mr Steve Lamond |
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Data collection parameters
| Chemical formula | C20 H14 F4 I2 N4 O2 |
| Crystal morphology | |
| Crystal system | Triclinic |
| Space group symbol | P-1 |
| Cell length a | 5.02970(10) |
| Cell length b | 10.2309(4) |
| Cell length c | 11.1000(4) |
| Cell angle alpha | 78.063(1) |
| Cell angle beta | 79.047(2) |
| Cell angle gamma | 83.871(2) |
| Data collection temperature | 150(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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