Sample Originator: Samantha K. Calleara and Michael B. Hursthousea.
Data Collection: Samantha K. Calleara
Structure Determination: Samantha K. Calleara.
University of Southamptona
C14H26N2O3S
InChI=1/C8H20N.C6H6NO3S/c1-7(2,3)6-8(4,5)9;7-5-3-1-2-4-6(5)11(8,9)10/h6H2,1-5,9H3;1-4H,7H2/q;-3
| Identification Number: | 10.5258/ecrystals/575 |
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| Date Created: | 14 August 2008 |
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| Deposited On: | 14 Apr 2009 20:33 |
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| Deposited By: | Dr Samantha K Callear |
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Data collection parameters
| Chemical formula | C14 H26 N2 O3 S |
| Crystal morphology | Block |
| Crystal system | triclinic |
| Space group symbol | P-1 |
| Cell length a | 9.300(2) |
| Cell length b | 11.925(3) |
| Cell length c | 15.450(4) |
| Cell angle alpha | 76.199(19) |
| Cell angle beta | 74.813(13) |
| Cell angle gamma | 89.758(17) |
| Data collection temperature | 120(2) |
Refinement results
| Solution figure of merit | |
| R Factor (Obs) | 0.2106 |
| R Factor (All) | 0.3758 |
| Weighted R Factor (Obs) | 0.2966 |
| Weighted R Factor (All) | 0.3708 |
Citation: Callear, Samantha K. and Hursthouse, Michael B. (2008) University of Southampton, Crystal Structure Report Archive. (doi:10.5258/ecrystals/575)
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