Sample Originator: Keith Smitha.
Data Collection: Simon J. Colesb and Michael B. Hursthouseb
Structure Determination: Simon J. Colesb.
University College of Swanseaa
University of Southamptonb
C18H18N2OS
InChI=1/C18H18N2OS/c1-12(16(21)13-8-4-3-5-9-13)17-19-15-11-7-6-10-14(15)18(20-17)22-2/h3-12,16,21H,1-2H3/t12-,16+/m0/s1
| Controlled Keywords: | organic compounds |
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| Date Created: | 03 May 2005 |
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| Deposited On: | 17 Feb 2010 13:33 |
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| Deposited By: | Mr Steve Lamond |
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Data collection parameters
| Chemical formula | C18 H18 N2 O S |
| Crystal morphology | Blade |
| Crystal system | Monoclinic |
| Space group symbol | C2/c |
| Cell length a | 34.115(7) |
| Cell length b | 5.1331(10) |
| Cell length c | 17.714(4) |
| Cell angle alpha | 90.00 |
| Cell angle beta | 95.69(3) |
| Cell angle gamma | 90.00 |
| Data collection temperature | 120(2) |
Refinement results
| Solution figure of merit | 0.0708 |
| R Factor (Obs) | 0.0756 |
| R Factor (All) | 0.1588 |
| Weighted R Factor (Obs) | 0.1240 |
| Weighted R Factor (All) | 0.1513 |
Citation: Smith, Keith and Coles, Simon J. and Hursthouse, Michael B. (2005) University of Southampton, Crystal Structure Report Archive. (http://ecrystals.chem.soton.ac.uk/1130/)
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