Sample Originator: Samantha K. Calleara and Michael B. Hursthousea.
Data Collection: Samantha K. Calleara
Structure Determination: Samantha K. Calleara.
University of Southamptona
C15H31NO4
InChI=1/C8H20N.C7H12O4/c1-7(2,3)6-8(4,5)9;8-6(9)4-2-1-3-5-7(10)11/h6H2,1-5,9H3;1-5H2,(H,8,9)(H,10,11)
| Identification Number: | 10.5258/ecrystals/508 |
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| Date Created: | 10 July 2008 |
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| Deposited On: | 14 Jul 2008 17:04 |
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| Deposited By: | Dr Samantha K Callear |
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Data collection parameters
| Chemical formula | C15 H31 N O4 |
| Crystal morphology | Block |
| Crystal system | orthorhombic |
| Space group symbol | Pna21 |
| Cell length a | 11.5504(7) |
| Cell length b | 22.2264(10) |
| Cell length c | 6.6309(4) |
| Cell angle alpha | 90.00 |
| Cell angle beta | 90.00 |
| Cell angle gamma | 90.00 |
| Data collection temperature | 120(2) |
Refinement results
| Solution figure of merit | |
| R Factor (Obs) | 0.0635 |
| R Factor (All) | 0.0883 |
| Weighted R Factor (Obs) | 0.1191 |
| Weighted R Factor (All) | 0.1345 |
Citation: Callear, Samantha K. and Hursthouse, Michael B. (2008) University of Southampton, Crystal Structure Report Archive. (doi:10.5258/ecrystals/508)
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