Sample Originator: T Threlfalla.
Data Collection: G Tizzarda
Structure Determination: S Linga and S Colesa.
University of Southamptona
C13 H8 F3 N1
InChI=1/4C13F3N/c4*14-10-3-1-9(2-4-10)8-17-13-6-5-11(15)7-12(13)16
| Identification Number: | 10.5258/ecrystals/1426 |
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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 F3 N |
| Crystal morphology | Block |
| Crystal system | ? |
| Space group symbol | ? |
| Cell length a | 6.3923(12) |
| Cell length b | 7.4769(10) |
| Cell length c | 21.635(4) |
| Cell angle alpha | 90.00 |
| Cell angle beta | 90.030(7) |
| Cell angle gamma | 90.00 |
| Data collection temperature | 120(2) |
Refinement results
| Solution figure of merit | |
| R Factor (Obs) | 0.0935 |
| R Factor (All) | 0.2783 |
| Weighted R Factor (Obs) | 0.2229 |
| Weighted R Factor (All) | 0.3505 |
Citation: Tizzard, G and Threlfall, T and Ling, S and Coles, S (2010) University of Southampton, Crystal Structure Report Archive. (doi:10.5258/ecrystals/1426)
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