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 |
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| Date Created: | 20 March 2001 |
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| Deposited On: | 12 Jun 2014 14:14 |
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| Deposited By: | Mr Steve Lamond |
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Data collection parameters
| Chemical formula | C19 H14 F4 I2 N4 O |
| Crystal morphology | |
| Crystal system | Monoclinic |
| Space group symbol | C2/c |
| Cell length a | 31.7811(10) |
| Cell length b | 4.52810(10) |
| Cell length c | 14.8008(6) |
| Cell angle alpha | 90.00 |
| Cell angle beta | 99.8140(11) |
| Cell angle gamma | 90.00 |
| Data collection temperature | 150(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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