Sample Originator: Samantha K. Calleara and Michael B. Hursthousea.
Data Collection: Samantha K. Calleara
Structure Determination: Samantha K. Calleara.
University of Southamptona
C12H23NO4
InChI=1/C6H14N.C6H10O4/c1-2-4-6-7-5-3-1;7-5(8)3-1-2-4-6(9)10/h1-7H2;1-4H2,(H,7,8)(H,9,10)
| Identification Number: | 10.5258/ecrystals/556 |
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| Date Created: | 05 August 2008 |
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| Deposited On: | 14 Apr 2009 20:51 |
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| Deposited By: | Dr Samantha K Callear |
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Data collection parameters
| Chemical formula | C12 H23 N O4 |
| Crystal morphology | Fragment |
| Crystal system | monoclinic |
| Space group symbol | Cc |
| Cell length a | 13.8261(10) |
| Cell length b | 11.0607(10) |
| Cell length c | 9.6798(9) |
| Cell angle alpha | 90.00 |
| Cell angle beta | 115.478(7) |
| Cell angle gamma | 90.00 |
| Data collection temperature | 120(2) |
Refinement results
| Solution figure of merit | |
| R Factor (Obs) | 0.0438 |
| R Factor (All) | 0.0541 |
| Weighted R Factor (Obs) | 0.0932 |
| Weighted R Factor (All) | 0.0993 |
Citation: Callear, Samantha K. and Hursthouse, Michael B. (2008) University of Southampton, Crystal Structure Report Archive. (doi:10.5258/ecrystals/556)
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