03SRC410 - C7H6O4S3
Sample Originator: Neil Bricklebanka. Data Collection: Simon J. Colesb and Michael B. Hursthouseb Structure Determination: Simon J. Colesb. Sheffield Hallam Universitya
University of Southamptonb
C7H6O4S3 InChI=1/C7H6O4S3/c1-10-5(8)3-4(6(9)11-2)14-7(12)13-3/h1-2H3 | Identification Number: | 10.5258/ecrystals/902 |
|---|
| Controlled Keywords: | organosulfur compounds, organophosphorus structures |
|---|
| Date Created: | 10 July 2003 |
|---|
| Deposited On: | 08 Nov 2013 16:31 |
|---|
| Deposited By: | Mr Steve Lamond |
|---|
Data collection parameters| Chemical formula | C7 H6 O4 S3 | | Crystal morphology | | | Crystal system | Monoclinic | | Space group symbol | P2(1)/c | | Cell length a | 13.1537(7) | | Cell length b | 9.3992(4) | | Cell length c | 8.0242(3) | | Cell angle alpha | 90.00 | | Cell angle beta | 103.221(2) | | Cell angle gamma | 90.00 | | Data collection temperature | 120(2) |
Refinement results| Solution figure of merit | | | R Factor (Obs) | 0.0283 | | R Factor (All) | 0.0309 | | Weighted R Factor (Obs) | 0.0709 | | Weighted R Factor (All) | 0.0728 |
Citation: Bricklebank, Neil and Coles, Simon J. and Hursthouse, Michael B. (2003) University of Southampton, Crystal Structure Report Archive. (doi:10.5258/ecrystals/902)
Export as: oreChem EndNote BibTeX ASCII Citation Available FilesFinal ResultValidationRefinementProcessingOther Files   Repository Staff Only: item control page
|
