Sample Originator: Samantha K. Calleara and Michael B. Hursthousea.
Data Collection: Samantha K. Calleara
Structure Determination: Samantha K. Calleara.
University of Southamptona
C12H25NO5
InChI=1/C8H20N.C4H6O5/c1-7(2,3)6-8(4,5)9;5-2(4(8)9)1-3(6)7/h6H2,1-5,9H3;2,5H,1H2,(H,6,7)(H,8,9)/t;2-/m.0/s1
| Identification Number: | 10.5258/ecrystals/560 |
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| Date Created: | 06 August 2008 |
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| Deposited On: | 14 Apr 2009 20:46 |
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| Deposited By: | Dr Samantha K Callear |
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Data collection parameters
| Chemical formula | C12 H25 N O5 |
| Crystal morphology | Block |
| Crystal system | triclinic |
| Space group symbol | P1 |
| Cell length a | 6.1782(3) |
| Cell length b | 7.5786(3) |
| Cell length c | 8.0969(3) |
| Cell angle alpha | 100.526(2) |
| Cell angle beta | 91.585(2) |
| Cell angle gamma | 107.060(2) |
| Data collection temperature | 120(2) |
Refinement results
| Solution figure of merit | |
| R Factor (Obs) | 0.0378 |
| R Factor (All) | 0.0407 |
| Weighted R Factor (Obs) | 0.0813 |
| Weighted R Factor (All) | 0.0836 |
Citation: Callear, Samantha K. and Hursthouse, Michael B. (2008) University of Southampton, Crystal Structure Report Archive. (doi:10.5258/ecrystals/560)
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