Sample Originator: Samantha K. Calleara and Michael B. Hursthousea.
Data Collection: Samantha K. Calleara
Structure Determination: Samantha K. Calleara.
University of Southamptona
C12H24N2O6
InChI=1/C4H10NO.C4H6O4/c1-3-6-4-2-5-1;5-3(6)1-2-4(7)8/h1-5H2;5,7H,1-2H2/q;-2/p-2
| Identification Number: | 10.5258/ecrystals/464 |
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| Date Created: | 09 June 2008 |
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| Deposited On: | 22 Jul 2008 16:15 |
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| Deposited By: | Dr Samantha K Callear |
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Data collection parameters
| Chemical formula | C12 H24 N2 O6 |
| Crystal morphology | |
| Crystal system | Monoclinic |
| Space group symbol | P21/c |
| Cell length a | 10.9078(5) |
| Cell length b | 7.6984(2) |
| Cell length c | 8.6167(3) |
| Cell angle alpha | 90.00 |
| Cell angle beta | 105.403(2) |
| Cell angle gamma | 90.00 |
| Data collection temperature | 120(2) |
Refinement results
| Solution figure of merit | |
| R Factor (Obs) | 0.0443 |
| R Factor (All) | 0.0639 |
| Weighted R Factor (Obs) | 0.1078 |
| Weighted R Factor (All) | 0.1205 |
Citation: Callear, Samantha K. and Hursthouse, Michael B. (2008) University of Southampton, Crystal Structure Report Archive. (doi:10.5258/ecrystals/464)
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