Sample Originator: John (M.J.) Platera.
Data Collection: Thomas Gelbrichb and Michael B. Hursthouseb
Structure Determination: Thomas Gelbrichb.
University of Aberdeena
University of Southamptonb
C13H14N4O . 2C4F4I
InChI=1/C7H8N2O.2C3H3F2I/c10-6-8-5-7-3-1-2-4-9-7;2*4-1-3(6)2-5/h1-4,6H,5H2,(H,8,10);2*1H,2H2/b;2*3-1
| Date Created: | 23 March 2001 |
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| Deposited On: | 23 Dec 2014 12:59 |
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| Deposited By: | Mr Steve Lamond |
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Data collection parameters
| Chemical formula | C25 H14 F8 I4 N4 O |
| Crystal morphology | |
| Crystal system | Monoclinic |
| Space group symbol | C2/c |
| Cell length a | 25.1399(9) |
| Cell length b | 4.57150(10) |
| Cell length c | 25.8949(12) |
| Cell angle alpha | 90.00 |
| Cell angle beta | 92.3760(15) |
| Cell angle gamma | 90.00 |
| Data collection temperature | 150(2) |
Refinement results
| Solution figure of merit | |
| R Factor (Obs) | 0.0392 |
| R Factor (All) | 0.0745 |
| Weighted R Factor (Obs) | 0.0556 |
| Weighted R Factor (All) | 0.0606 |
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/829/)
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