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
C28H26O4S6
InChI=1/C14H14O2S3/c1-15-9-3-4-10(11(7-9)16-2)13-14-12(8-19-13)17-5-6-18-14/h3-4,7-8H,5-6H2,1-2H3
| Controlled Keywords: | polymer, organic compounds |
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| Date Created: | 10 March 2004 |
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| Deposited On: | 16 Feb 2010 15:57 |
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| Deposited By: | Mr Steve Lamond |
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Data collection parameters
| Chemical formula | C28 H26 O4 S6 |
| Crystal morphology | |
| Crystal system | Monoclinic |
| Space group symbol | C2/c |
| Cell length a | 15.509(3) |
| Cell length b | 8.0208(16) |
| Cell length c | 22.583(5) |
| Cell angle alpha | 90.00 |
| Cell angle beta | 96.60(3) |
| Cell angle gamma | 90.00 |
| Data collection temperature | 120(2) |
Refinement results
| Solution figure of merit | |
| R Factor (Obs) | 0.0654 |
| R Factor (All) | 0.0812 |
| Weighted R Factor (Obs) | 0.1649 |
| Weighted R Factor (All) | 0.1752 |
Citation: Skabara, Peter J. and Coles, Simon J. and Hursthouse, Michael B. (2004) University of Southampton, Crystal Structure Report Archive. (http://ecrystals.chem.soton.ac.uk/1160/)
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