Sample Originator: Terence L. Threlfalla.
Data Collection: Michael B. Hursthousea
Structure Determination: Samantha K. Calleara.
University of Southamptona
C5H13NO7
InChI=1/C4H6O6.CH6N.H2O/c5-1(3(7)8)2(6)4(9)10;1-2;/h1-2,5-6H,(H,7,8)(H,9,10);1-2H3;1H2/t1-,2-;;/m1../s1
| Identification Number: | 10.5258/ecrystals/578 |
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| Date Created: | 14 August 2008 |
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| Deposited On: | 14 Apr 2009 20:31 |
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| Deposited By: | Dr Samantha K Callear |
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Data collection parameters
| Chemical formula | C5 H13 N O7 |
| Crystal morphology | Plate |
| Crystal system | monoclinic |
| Space group symbol | C2/c |
| Cell length a | 20.104(4) |
| Cell length b | 7.6296(15) |
| Cell length c | 15.302(3) |
| Cell angle alpha | 90.00 |
| Cell angle beta | 129.99(3) |
| Cell angle gamma | 90.00 |
| Data collection temperature | 120(2) |
Refinement results
| Solution figure of merit | |
| R Factor (Obs) | 0.0433 |
| R Factor (All) | 0.0595 |
| Weighted R Factor (Obs) | 0.1027 |
| Weighted R Factor (All) | 0.1124 |
Citation: Callear, Samantha K. and Hursthouse, Michael B. and Threlfall, Terence L. (2008) University of Southampton, Crystal Structure Report Archive. (doi:10.5258/ecrystals/578)
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