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/c1-6-3-2-5-4-6;1-7-3(6)2(4)5/h2-5H,1H3;1H3,(H,4,5)
| Identification Number: | 10.5258/ecrystals/463 |
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| Date Created: | 09 June 2008 |
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| Deposited On: | 14 Jul 2008 22:09 |
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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 | |
| Crystal system | Monoclinic |
| Space group symbol | P21/c |
| Cell length a | 6.4624(4) |
| Cell length b | 18.8186(10) |
| Cell length c | 7.1493(5) |
| Cell angle alpha | 90.00 |
| Cell angle beta | 98.878(4) |
| Cell angle gamma | 90.00 |
| Data collection temperature | 120(2) |
Refinement results
| Solution figure of merit | |
| R Factor (Obs) | 0.0609 |
| R Factor (All) | 0.1145 |
| Weighted R Factor (Obs) | 0.1067 |
| Weighted R Factor (All) | 0.1230 |
Citation: Callear, Samantha K. and Hursthouse, Michael B. (2008) University of Southampton, Crystal Structure Report Archive. (doi:10.5258/ecrystals/463)
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