Sample Originator: T Threlfall.
Data Collection: G Tizzarda and S Linga
Structure Determination: S Linga and S Colesa.
University of Southamptona
C13H5F5N1
InChI=1/C13H6F5N.3C13H5F5N/c4*14-8-3-9(15)5-10(4-8)19-6-7-1-11(16)13(18)12(17)2-7/h1-6H;3*1-5H/b19-6+;;;
| Identification Number: | 10.5258/ecrystals/1420 |
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| Date Created: | 2010 |
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| Deposited On: | 28 Mar 2012 09:17 |
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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 | |
| Crystal system | ? |
| Space group symbol | ? |
| Cell length a | 7.1359(12) |
| Cell length b | 15.247(2) |
| Cell length c | 20.576(3) |
| Cell angle alpha | 87.348(7) |
| Cell angle beta | 90.00 |
| Cell angle gamma | 90.00 |
| Data collection temperature | 120(2) |
Refinement results
| Solution figure of merit | |
| R Factor (Obs) | 0.1037 |
| R Factor (All) | 0.2679 |
| Weighted R Factor (Obs) | 0.2289 |
| Weighted R Factor (All) | 0.3234 |
Citation: Tizzard, G and Ling, S and Threlfall, T and Coles, S (2010) University of Southampton, Crystal Structure Report Archive. (doi:10.5258/ecrystals/1420)
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