Sample Originator: T Threlfalla.
Data Collection: G Tizzarda
Structure Determination: S Linga and S Colesa.
University of Southamptona
C13 H6 F5 N
InChI=1/C13H6F5N.C13H5F5N/c2*14-8-4-10(16)13(11(17)5-8)19-6-7-2-1-3-9(15)12(7)18/h1-6H;1-5H/b19-6+;
| Identification Number: | 10.5258/ecrystals/1427 |
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| Date Created: | 2010 |
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| Deposited On: | 28 Mar 2012 09:14 |
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| Deposited By: | Mr Samuel O Ling |
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Data collection parameters
| Chemical formula | C13 H0 F5 N |
| Crystal morphology | Block |
| Crystal system | ? |
| Space group symbol | ? |
| Cell length a | 3.6878(3) |
| Cell length b | 48.796(4) |
| Cell length c | 12.4014(12) |
| Cell angle alpha | 90.00 |
| Cell angle beta | 98.55 |
| Cell angle gamma | 90.00 |
| Data collection temperature | 120(2) |
Refinement results
| Solution figure of merit | |
| R Factor (Obs) | 0.0863 |
| R Factor (All) | 0.1712 |
| Weighted R Factor (Obs) | 0.1547 |
| Weighted R Factor (All) | 0.1939 |
Citation: Tizzard, G and Threlfall, T and Ling, S and Coles, S (2010) University of Southampton, Crystal Structure Report Archive. (doi:10.5258/ecrystals/1427)
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