Sample Originator: N Tomkinsona.
Data Collection: Simon J. Colesb
Structure Determination: Simon J. Colesb.
Cardiff Universitya
University of Southamptonb
C14H15N2O2 . PF6
InChI=1/C14H15N2O2.F6P/c1-15-13(17)10-16(11-14(15)18)9-5-8-12-6-3-2-4-7-12;1-7(2,3,4,5)6/h2-9H,10-11H2,1H3;/b8-5+;
| Identification Number: | 10.5258/ecrystals/349 |
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| Date Created: | 08 August 2007 |
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| Deposited On: | 21 Jan 2008 15:30 |
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| Deposited By: | Dr Simon J Coles |
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Data collection parameters
| Chemical formula | C14 H15 F6 N2 O2 P |
| Crystal morphology | Rod |
| Crystal system | Monoclinic |
| Space group symbol | P2(1)/n |
| Cell length a | 7.916(5) |
| Cell length b | 9.901(5) |
| Cell length c | 20.661(5) |
| Cell angle alpha | 90.000(5) |
| Cell angle beta | 99.445(5) |
| Cell angle gamma | 90.000(5) |
| Data collection temperature | 120(2) |
Refinement results
| Solution figure of merit | 0.1826 |
| R Factor (Obs) | 0.1137 |
| R Factor (All) | 0.2326 |
| Weighted R Factor (Obs) | 0.3083 |
| Weighted R Factor (All) | 0.3783 |
Citation: Tomkinson, N and Coles, Simon J. (2007) University of Southampton, Crystal Structure Report Archive. (doi:10.5258/ecrystals/349)
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