Sample Originator: John Spencera and Hiren Patela.
Data Collection: Samantha K. Callearb and Michael B. Hursthouseb
Structure Determination: Samantha K. Callearb.
University of Greenwicha
University of Southamptonb
C15H15FN4O
InChI=1/C15H15FN4O/c16-13-4-2-12(3-5-13)14(21)19-8-10-20(11-9-19)15-17-6-1-7-18-15/h1-7H,8-11H2
| Identification Number: | 10.5258/ecrystals/635 |
|---|
| Date Created: | 02 February 2009 |
|---|
| Deposited On: | 09 Apr 2009 11:06 |
|---|
| Deposited By: | Dr Samantha K Callear |
|---|
Data collection parameters
| Chemical formula | C15 H15 F N4 O |
| Crystal morphology | Block |
| Crystal system | orthorhombic |
| Space group symbol | P212121 |
| Cell length a | 6.1453(2) |
| Cell length b | 7.8485(2) |
| Cell length c | 27.6153(8) |
| Cell angle alpha | 90.00 |
| Cell angle beta | 90.00 |
| Cell angle gamma | 90.00 |
| Data collection temperature | 120(2) |
Refinement results
| Solution figure of merit | |
| R Factor (Obs) | 0.0467 |
| R Factor (All) | 0.0550 |
| Weighted R Factor (Obs) | 0.0887 |
| Weighted R Factor (All) | 0.0938 |
Citation: Spencer, John and Patel, Hiren and Callear, Samantha K. and Hursthouse, Michael B. (2009) University of Southampton, Crystal Structure Report Archive. (doi:10.5258/ecrystals/635)
Export as: oreChem EndNote BibTeX ASCII Citation
