Sample Originator: Unknown.
Data Collection: Simon J. Colesa and Michael B. Hursthousea
Structure Determination: Simon J. Colesa and Steven J. Lamonda.
University of Southamptona
C10H14O3S2
InChI=1/2C10H15O3S2/c2*1-10(14-5-2-6-15(10)12)9-7-8(11)3-4-13-9/h2*3-4,9,12H,2,5-7H2,1H3/t2*9-,10+/m11/s1
| Date Created: | 14 September 2009 |
|---|
| Deposited On: | 23 Dec 2014 13:31 |
|---|
| Deposited By: | Mr Steve Lamond |
|---|
Data collection parameters
| Chemical formula | C10 H14 O3 S2 |
| Crystal morphology | |
| Crystal system | Orthorhombic |
| Space group symbol | Pca2(1) |
| Cell length a | 11.738(2) |
| Cell length b | 12.1340(9) |
| Cell length c | 15.537(2) |
| Cell angle alpha | 90.00 |
| Cell angle beta | 90.00 |
| Cell angle gamma | 90.00 |
| Data collection temperature | 150(2) |
Refinement results
| Solution figure of merit | |
| R Factor (Obs) | 0.0576 |
| R Factor (All) | 0.0602 |
| Weighted R Factor (Obs) | 0.1405 |
| Weighted R Factor (All) | 0.1412 |
Citation: Unknown, and Coles, Simon J. and Hursthouse, Michael B. and Lamond, Steven J. (2009) University of Southampton, Crystal Structure Report Archive. (http://ecrystals.chem.soton.ac.uk/822/)
Export as: oreChem EndNote BibTeX ASCII Citation
