Sample Originator: Donated Samplea.
Data Collection: Susanne L. Huthb and Michael B. Hursthouseb
Structure Determination: Susanne L. Huthb.
Sample kindly provided by Maybridgea
University of Southamptonb
C6H8NOS
InChI=1/C6H8NOS/c1-4-2-5(6(7)8)9-3-4/h2-3,5H,1H3,(H2,7,8)
| Identification Number: | 10.5258/ecrystals/374 |
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| Date Created: | 12 July 2007 |
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| Deposited On: | 31 Jan 2008 13:05 |
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| Deposited By: | Mrs L. Susanne Coles (née) Huth |
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Depositor Comments
More information about this compound can be found at:
http://www.maybridge.com/
Data collection parameters
| Chemical formula | C6 H7 N O S |
| Crystal morphology | Plate |
| Crystal system | Triclinic |
| Space group symbol | P-1 |
| Cell length a | 10.0846(3) |
| Cell length b | 10.4718(3) |
| Cell length c | 10.9149(3) |
| Cell angle alpha | 106.7180(10) |
| Cell angle beta | 111.473(2) |
| Cell angle gamma | 95.603(2) |
| Data collection temperature | 120(2) |
Refinement results
| Solution figure of merit | 0.0570 |
| R Factor (Obs) | 0.0699 |
| R Factor (All) | 0.0943 |
| Weighted R Factor (Obs) | 0.1732 |
| Weighted R Factor (All) | 0.1960 |
Citation: Sample, Donated and Huth, Susanne L. and Hursthouse, Michael B. (2007) University of Southampton, Crystal Structure Report Archive. (doi:10.5258/ecrystals/374)
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