Sample Originator: T Threlfalla.
Data Collection: G Tizzarda and S Linga
Structure Determination: S Linga and S Colesa.
University of Southamptona
C13 H8 F3 N1
InChI=1/C13H8F3N/c14-10-1-4-12(5-2-10)17-8-9-7-11(15)3-6-13(9)16/h1-8H/b17-8+
| Identification Number: | 10.5258/ecrystals/1422 |
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| Date Created: | 2010 |
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| Deposited On: | 28 Mar 2012 09:16 |
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| Deposited By: | Mr Samuel O Ling |
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Data collection parameters
| Chemical formula | C13 H0 F3 N |
| Crystal morphology | Lath |
| Crystal system | ? |
| Space group symbol | ? |
| Cell length a | 12.8476(8) |
| Cell length b | 3.7474(2) |
| Cell length c | 21.5262(14) |
| Cell angle alpha | 90.00 |
| Cell angle beta | 97.291(3) |
| Cell angle gamma | 90.00 |
| Data collection temperature | 120(2) |
Refinement results
| Solution figure of merit | |
| R Factor (Obs) | 0.0493 |
| R Factor (All) | 0.0668 |
| Weighted R Factor (Obs) | 0.1216 |
| Weighted R Factor (All) | 0.1327 |
Citation: Tizzard, G and Ling, S and Threlfall, T and Coles, S (2010) University of Southampton, Crystal Structure Report Archive. (doi:10.5258/ecrystals/1422)
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