Sample Originator: Allan E. Underhilla.
Data Collection: Simon J. Colesb and Michael B. Hursthouseb
Structure Determination: Simon J. Colesb.
University College of North Walesa
University of Southamptonb
C17H10S5
InChI=1/C17H12S5/c18-17-21-15-16(22-17)20-14(12-9-5-2-6-10-12)13(19-15)11-7-3-1-4-8-11/h1-10,13-14H/t13-,14-/m1/s1
| Date Created: | 05 November 1996 |
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| Deposited On: | 23 Dec 2014 13:37 |
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| Deposited By: | Mr Steve Lamond |
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Data collection parameters
| Chemical formula | C17 H10 S5 |
| Crystal morphology | |
| Crystal system | Monoclinic |
| Space group symbol | P2(1)/n |
| Cell length a | 14.6453(15) |
| Cell length b | 5.8392(7) |
| Cell length c | 19.602(2) |
| Cell angle alpha | 90.00 |
| Cell angle beta | 99.978(7) |
| Cell angle gamma | 90.00 |
| Data collection temperature | 150(2) |
Refinement results
| Solution figure of merit | |
| R Factor (Obs) | |
| R Factor (All) | 0.0715 |
| Weighted R Factor (Obs) | |
| Weighted R Factor (All) | |
Citation: Underhill, Allan E. and Coles, Simon J. and Hursthouse, Michael B. (1996) University of Southampton, Crystal Structure Report Archive. (http://ecrystals.chem.soton.ac.uk/763/)
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