Sample Originator: Terry L. Threlfalla.
Data Collection: Susanne L. Hutha
Structure Determination: Susanne L. Hutha and Michael B. Hursthousea.
University of Southamptona
C13H10F2N2O
InChI=1/C13H10F2N2O/c14-9-3-1-5-11(7-9)16-13(18)17-12-6-2-4-10(15)8-12/h1-8,16-17H/q-1
| Identification Number: | 10.5258/ecrystals/686 |
|---|
| Date Created: | 06 November 2008 |
|---|
| Deposited On: | 03 Apr 2009 11:10 |
|---|
| Deposited By: | Mrs L. Susanne Coles (née) Huth |
|---|
Data collection parameters
| Chemical formula | C13 H10 F2 N2 O |
| Crystal morphology | Cut Lath |
| Crystal system | Monoclinic |
| Space group symbol | C2/c |
| Cell length a | 20.7183(7) |
| Cell length b | 12.6104(5) |
| Cell length c | 9.1726(3) |
| Cell angle alpha | 90.00 |
| Cell angle beta | 109.300(2) |
| Cell angle gamma | 90.00 |
| Data collection temperature | 120(2) |
Refinement results
| Solution figure of merit | 0.0340 |
| R Factor (Obs) | 0.0595 |
| R Factor (All) | 0.0835 |
| Weighted R Factor (Obs) | 0.1137 |
| Weighted R Factor (All) | 0.1270 |
Citation: Huth, Susanne L. and Threlfall, Terry L. and Hursthouse, Michael B. (2008) University of Southampton, Crystal Structure Report Archive. (doi:10.5258/ecrystals/686)
Export as: oreChem EndNote BibTeX ASCII Citation
Repository Staff Only: item control page
