Sample Originator: Terry L. Threlfalla.
Data Collection: Susanne L. Hutha
Structure Determination: Susanne L. Hutha and Michael B. Hursthousea.
University of Southamptona
C7H7F3N2O2
InChI=1/C5H7N2.C2F3O2/c6-5-2-1-3-7-4-5;3-2(4,5)1(6)7/h1-4,7H,6H2;
| Identification Number: | 10.5258/ecrystals/698 |
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| Date Created: | 08 November 2008 |
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| Deposited On: | 03 Apr 2009 11:54 |
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| Deposited By: | Mrs L. Susanne Coles (née) Huth |
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Data collection parameters
| Chemical formula | C7 H7 F3 N2 O2 |
| Crystal morphology | Cut Fragment |
| Crystal system | Monoclinic |
| Space group symbol | P21/c |
| Cell length a | 8.2778(3) |
| Cell length b | 7.0864(2) |
| Cell length c | 14.7146(5) |
| Cell angle alpha | 90.00 |
| Cell angle beta | 97.230(2) |
| Cell angle gamma | 90.00 |
| Data collection temperature | 120(2) |
Refinement results
| Solution figure of merit | 0.0406 |
| R Factor (Obs) | 0.0432 |
| R Factor (All) | 0.0479 |
| Weighted R Factor (Obs) | 0.1051 |
| Weighted R Factor (All) | 0.1085 |
Citation: Huth, Susanne L. and Threlfall, Terry L. and Hursthouse, Michael B. (2008) University of Southampton, Crystal Structure Report Archive. (doi:10.5258/ecrystals/698)
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