Sample Originator: Samantha K. Calleara and Michael B. Hursthousea.
Data Collection: Samantha K. Calleara
Structure Determination: Samantha K. Calleara.
University of Southamptona
C7H16N2O4
InChI=1/C5H8O4.C2H10N2/c6-4(7)2-1-3-5(8)9;3-1-2-4/h1-3H2,(H,6,7)(H,8,9);1-2H2,3-4H3
| Identification Number: | 10.5258/ecrystals/496 |
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| Date Created: | 10 July 2008 |
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| Deposited On: | 14 Jul 2008 17:56 |
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| Deposited By: | Dr Samantha K Callear |
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Data collection parameters
| Chemical formula | C7 H16 N2 O4 |
| Crystal morphology | Plate |
| Crystal system | monoclinic |
| Space group symbol | P21/n |
| Cell length a | 8.6426(5) |
| Cell length b | 6.0715(5) |
| Cell length c | 18.9467(14) |
| Cell angle alpha | 90.00 |
| Cell angle beta | 102.765(5) |
| Cell angle gamma | 90.00 |
| Data collection temperature | 120(2) |
Refinement results
| Solution figure of merit | |
| R Factor (Obs) | 0.0603 |
| R Factor (All) | 0.1330 |
| Weighted R Factor (Obs) | 0.1202 |
| Weighted R Factor (All) | 0.1463 |
Citation: Callear, Samantha K. and Hursthouse, Michael B. (2008) University of Southampton, Crystal Structure Report Archive. (doi:10.5258/ecrystals/496)
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