Sample Originator: Peter J. Skabaraa.
Data Collection: Simon J. Colesb and Michael B. Hursthouseb
Structure Determination: Simon J. Colesb.
University of Strathclydea
University of Southamptonb
C20H20O4S
InChI=1/2C20H20O4S/c2*1-21-13-5-7-15(17(11-13)23-3)19-9-10-20(25-19)16-8-6-14(22-2)12-18(16)24-4/h2*5-12H,1-4H3
| Controlled Keywords: | polymers, organic compounds |
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| Date Created: | 11 February 2005 |
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| Deposited On: | 17 Feb 2010 13:10 |
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| Deposited By: | Mr Steve Lamond |
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Data collection parameters
| Chemical formula | C20 H20 O4 S |
| Crystal morphology | Rod |
| Crystal system | Monoclinic |
| Space group symbol | P2(1)/c |
| Cell length a | 8.4286(8) |
| Cell length b | 24.3617(19) |
| Cell length c | 16.835(3) |
| Cell angle alpha | 90.00 |
| Cell angle beta | 90.141(9) |
| Cell angle gamma | 90.00 |
| Data collection temperature | 120(2) |
Refinement results
| Solution figure of merit | 0.1999 |
| R Factor (Obs) | 0.0464 |
| R Factor (All) | 0.0654 |
| Weighted R Factor (Obs) | 0.1222 |
| Weighted R Factor (All) | 0.1346 |
Citation: Skabara, Peter J. and Coles, Simon J. and Hursthouse, Michael B. (2005) University of Southampton, Crystal Structure Report Archive. (http://ecrystals.chem.soton.ac.uk/1162/)
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