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 |
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| Controlled Keywords: | organosulfur compounds, organophosphorus structures |
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| Date Created: | 10 July 2003 |
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| Deposited On: | 08 Nov 2013 16:31 |
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| Deposited By: | Mr Steve Lamond |
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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)
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