Sample Originator: Samantha K. Calleara and Michael B. Hursthousea.
Data Collection: Samantha K. Calleara
Structure Determination: Samantha K. Calleara.
University of Southamptona
C8H10N2O4
InChI=1/C4H7N2.C4H4O4/c1-4-2-5-3-6-4;5-3(6)1-2-4(7)8/h2-3,5-6H,1H3;1-2H,(H,5,6)(H,7,8)/b;2-1
| Identification Number: | 10.5258/ecrystals/513 |
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| Date Created: | 14 July 2008 |
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| Deposited On: | 14 Jul 2008 17:44 |
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| Deposited By: | Dr Samantha K Callear |
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Data collection parameters
| Chemical formula | C8 H10 N2 O4 |
| Crystal morphology | Block |
| Crystal system | Monoclinic |
| Space group symbol | P21/c |
| Cell length a | 5.5883(2) |
| Cell length b | 22.5838(12) |
| Cell length c | 7.3581(4) |
| Cell angle alpha | 90.00 |
| Cell angle beta | 98.578(3) |
| Cell angle gamma | 90.00 |
| Data collection temperature | 120(2) |
Refinement results
| Solution figure of merit | |
| R Factor (Obs) | 0.0519 |
| R Factor (All) | 0.0854 |
| Weighted R Factor (Obs) | 0.1248 |
| Weighted R Factor (All) | 0.1421 |
Citation: Callear, Samantha K. and Hursthouse, Michael B. (2008) University of Southampton, Crystal Structure Report Archive. (doi:10.5258/ecrystals/513)
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