Sample Originator: Samantha K. Calleara and Michael B. Hursthousea.
Data Collection: Samantha K. Calleara
Structure Determination: Samantha K. Calleara.
University of Southamptona
C7H10N2O4
InChI=1/C4H7N2.C3H4O4/c1-4-5-2-3-6-4;4-2(5)1-3(6)7/h2-3,5-6H,1H3;1H2,(H,4,5)(H,6,7)
| Identification Number: | 10.5258/ecrystals/515 |
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| Date Created: | 14 July 2008 |
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| Deposited On: | 14 Jul 2008 17:43 |
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| Deposited By: | Dr Samantha K Callear |
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Data collection parameters
| Chemical formula | C7 H10 N2 O4 |
| Crystal morphology | Lath |
| Crystal system | Orthorhombic |
| Space group symbol | Pna21 |
| Cell length a | 11.4966(19) |
| Cell length b | 18.702(3) |
| Cell length c | 3.9535(5) |
| 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) | 0.0802 |
| R Factor (All) | 0.1277 |
| Weighted R Factor (Obs) | 0.1212 |
| Weighted R Factor (All) | 0.1429 |
Citation: Callear, Samantha K. and Hursthouse, Michael B. (2008) University of Southampton, Crystal Structure Report Archive. (doi:10.5258/ecrystals/515)
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