Sample Originator: N Tomkinsona.
Data Collection: Simon J. Colesb
Structure Determination: Michael B. Hursthouseb and Simon J. Colesb.
Cardiff Universitya
University of Southamptonb
C14H15NF3 . PF6
InChI=1/C14H16F3N.F5P.FH/c15-14(16,17)13-9-5-11-18(13)10-4-8-12-6-2-1-3-7-12;1-6(2,3,4)5;/h1-4,6-8,13H,5,9-11H2;;1H/b8-4+;;/t13-;;/m1../s1
| Identification Number: | 10.5258/ecrystals/297 |
|---|
| Date Created: | 16 March 2007 |
|---|
| Deposited On: | 21 Jan 2008 15:30 |
|---|
| Deposited By: | Dr Simon J Coles |
|---|
Data collection parameters
| Chemical formula | C14 H15 F9 N P |
| Crystal morphology | Block |
| Crystal system | Monoclinic |
| Space group symbol | P2(1)/c |
| Cell length a | 18.5797(5) |
| Cell length b | 10.6257(3) |
| Cell length c | 8.38670(10) |
| Cell angle alpha | 90.00 |
| Cell angle beta | 98.718(2) |
| Cell angle gamma | 90.00 |
| Data collection temperature | 120(2) |
Refinement results
| Solution figure of merit | 0.0901 |
| R Factor (Obs) | 0.0395 |
| R Factor (All) | 0.0530 |
| Weighted R Factor (Obs) | 0.0978 |
| Weighted R Factor (All) | 0.1047 |
Citation: Tomkinson, N and Coles, Simon J. and Hursthouse, Michael B. and Coles, Simon J. (2007) University of Southampton, Crystal Structure Report Archive. (doi:10.5258/ecrystals/297)
Export as: oreChem EndNote BibTeX ASCII Citation
