Sample Originator: Samantha K. Calleara and Michael B. Hursthousea.
Data Collection: Samantha K. Calleara
Structure Determination: Samantha K. Calleara.
University of Southamptona
C8H14N2O5
InChI=1/C5H8O4.C3H6N2O/c6-4(7)2-1-3-5(8)9;6-3-4-1-2-5-3/h1-3H2,(H,6,7)(H,8,9);1-2H2,(H2,4,5,6)
| Identification Number: | 10.5258/ecrystals/501 |
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| Date Created: | 10 July 2008 |
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| Deposited On: | 14 Jul 2008 17:49 |
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| Deposited By: | Dr Samantha K Callear |
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Data collection parameters
| Chemical formula | C8 H14 N2 O5 |
| Crystal morphology | Block |
| Crystal system | monoclinic |
| Space group symbol | Cc |
| Cell length a | 5.3007(4) |
| Cell length b | 19.374(2) |
| Cell length c | 10.0780(9) |
| Cell angle alpha | 90.00 |
| Cell angle beta | 94.012(6) |
| Cell angle gamma | 90.00 |
| Data collection temperature | 120(2) |
Refinement results
| Solution figure of merit | |
| R Factor (Obs) | 0.0418 |
| R Factor (All) | 0.0556 |
| Weighted R Factor (Obs) | 0.1023 |
| Weighted R Factor (All) | 0.1110 |
Citation: Callear, Samantha K. and Hursthouse, Michael B. (2008) University of Southampton, Crystal Structure Report Archive. (doi:10.5258/ecrystals/501)
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