Sample Originator: Donated Samplea.
Data Collection: Susanne L. Huthb and Michael B. Hursthouseb
Structure Determination: Susanne L. Huthb.
Sample kindly provided by Maybridgea
University of Southamptonb
C10H9NOS
InChI=1/C10H9NOS/c12-7-8-3-4-9(11-6-8)10-2-1-5-13-10/h1-6,12H,7H2
| Identification Number: | 10.5258/ecrystals/373 |
|---|
| Date Created: | 09 July 2007 |
|---|
| Deposited On: | 31 Jan 2008 13:08 |
|---|
| Deposited By: | Mrs L. Susanne Coles (née) Huth |
|---|
Depositor Comments
More information about this compound can be found at:
http://www.maybridge.com/
Data collection parameters
| Chemical formula | C10 H9 N O S |
| Crystal morphology | Needle |
| Crystal system | Orthorhombic |
| Space group symbol | Pbca |
| Cell length a | 14.2845(8) |
| Cell length b | 5.4226(2) |
| Cell length c | 22.7593(14) |
| 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 | 0.0702 |
| R Factor (Obs) | 0.1062 |
| R Factor (All) | 0.2077 |
| Weighted R Factor (Obs) | 0.1572 |
| Weighted R Factor (All) | 0.1995 |
Citation: Sample, Donated and Huth, Susanne L. and Hursthouse, Michael B. (2007) University of Southampton, Crystal Structure Report Archive. (doi:10.5258/ecrystals/373)
Export as: oreChem EndNote BibTeX ASCII Citation
Repository Staff Only: item control page
