Sample Originator: Samantha K. Calleara and Michael B. Hursthousea.
Data Collection: Samantha K. Calleara
Structure Determination: Samantha K. Calleara.
University of Southamptona
C15H27NO3S
InChI=1/C8H20N.C7H8O3S/c1-7(2,3)6-8(4,5)9;1-6-2-4-7(5-3-6)11(8,9)10/h6H2,1-5,9H3;2-5H,1H3,(H,8,9,10)
| Identification Number: | 10.5258/ecrystals/571 |
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| Date Created: | 07 August 2008 |
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| Deposited On: | 14 Apr 2009 20:38 |
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| Deposited By: | Dr Samantha K Callear |
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Data collection parameters
| Chemical formula | C15 H27 N O3 S |
| Crystal morphology | Block |
| Crystal system | triclinic |
| Space group symbol | P-1 |
| Cell length a | 6.1332(4) |
| Cell length b | 10.2547(7) |
| Cell length c | 13.7444(6) |
| Cell angle alpha | 98.274(3) |
| Cell angle beta | 93.850(4) |
| Cell angle gamma | 94.425(3) |
| Data collection temperature | 120(2) |
Refinement results
| Solution figure of merit | |
| R Factor (Obs) | 0.0568 |
| R Factor (All) | 0.0932 |
| Weighted R Factor (Obs) | 0.1115 |
| Weighted R Factor (All) | 0.1242 |
Citation: Callear, Samantha K. and Hursthouse, Michael B. (2008) University of Southampton, Crystal Structure Report Archive. (doi:10.5258/ecrystals/571)
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