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
C17H12N2O4S5
InChI=1/C9H10NO2S3/c11-10(12)9-3-1-2-8(4-9)5-14-7-15-6-13/h1-4,6H,5,7H2,(H,11,12)
| Identification Number: | 10.5258/ecrystals/1004 |
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| Controlled Keywords: | charge transfer |
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| Date Created: | 07 January 2004 |
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| Deposited On: | 23 Dec 2014 09:44 |
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| Deposited By: | Mr Steve Lamond |
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Data collection parameters
| Chemical formula | C17 H12 N2 O4 S5 |
| Crystal morphology | |
| Crystal system | Monoclinic |
| Space group symbol | C2/c |
| Cell length a | 24.1967(16) |
| Cell length b | 10.5977(7) |
| Cell length c | 7.5551(4) |
| Cell angle alpha | 90.00 |
| Cell angle beta | 95.146(3) |
| Cell angle gamma | 90.00 |
| Data collection temperature | 120(2) |
Refinement results
| Solution figure of merit | |
| R Factor (Obs) | 0.0415 |
| R Factor (All) | 0.0629 |
| Weighted R Factor (Obs) | 0.0930 |
| Weighted R Factor (All) | 0.1015 |
Citation: Skabara, Peter J. and Coles, Simon J. and Hursthouse, Michael B. (2004) University of Southampton, Crystal Structure Report Archive. (doi:10.5258/ecrystals/1004)
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