Sample Originator: Samantha K. Calleara and Michael B. Hursthousea.
Data Collection: Samantha K. Calleara
Structure Determination: Samantha K. Calleara.
University of Southamptona
C7H10N2O6
InChI=1/C4H6O6.C3H10N2.C2H7N.CH5N/c5-1(3(7)8)2(6)4(9)10;1-2-3-5-4;1-2-3;1-2/h1-2,5-6H,(H,7,8)(H,9,10);5H,2-4H2,1H3;2-3H2,1H3;2H2,1H3/t1-,2-;;;/m1.../s1
| Identification Number: | 10.5258/ecrystals/453 |
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| Date Created: | 04 June 2008 |
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| Deposited On: | 14 Jul 2008 17:31 |
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| Deposited By: | Dr Samantha K Callear |
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Data collection parameters
| Chemical formula | C7 H10 N2 O6 |
| Crystal morphology | Fragment |
| Crystal system | monoclinic |
| Space group symbol | C2/c |
| Cell length a | 25.065(5) |
| Cell length b | 4.9767(10) |
| Cell length c | 19.142(4) |
| Cell angle alpha | 90.00 |
| Cell angle beta | 129.42(3) |
| Cell angle gamma | 90.00 |
| Data collection temperature | 120(2) |
Refinement results
| Solution figure of merit | |
| R Factor (Obs) | 0.0993 |
| R Factor (All) | 0.2794 |
| Weighted R Factor (Obs) | 0.1418 |
| Weighted R Factor (All) | 0.1972 |
Citation: Callear, Samantha K. and Hursthouse, Michael B. (2008) University of Southampton, Crystal Structure Report Archive. (doi:10.5258/ecrystals/453)
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