Sample Originator: Michael B. Hursthousea and Terence L. Threlfalla.
Data Collection: Samantha K. Calleara
Structure Determination: Samantha K. Calleara.
University of Southamptona
C5H11NO6
InChI=1/C4H6O6.CH6N/c5-1(3(7)8)2(6)4(9)10;1-2/h1-2,5-6H,(H,7,8)(H,9,10);1-2H3/t1-,2-;/m1./s1
| Identification Number: | 10.5258/ecrystals/579 |
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| Date Created: | 14 August 2008 |
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| Deposited On: | 14 Apr 2009 20:30 |
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| Deposited By: | Dr Samantha K Callear |
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Data collection parameters
| Chemical formula | C5 H11 N O6 |
| Crystal morphology | Fragment |
| Crystal system | triclinic |
| Space group symbol | P1 |
| Cell length a | 5.1580(5) |
| Cell length b | 5.3261(7) |
| Cell length c | 7.5218(6) |
| Cell angle alpha | 78.735(8) |
| Cell angle beta | 83.330(10) |
| Cell angle gamma | 79.077(11) |
| Data collection temperature | 120(2) |
Refinement results
| Solution figure of merit | |
| R Factor (Obs) | 0.0330 |
| R Factor (All) | 0.0381 |
| Weighted R Factor (Obs) | 0.0743 |
| Weighted R Factor (All) | 0.0779 |
Citation: Callear, Samantha K. and Hursthouse, Michael B. and Threlfall, Terence L. (2008) University of Southampton, Crystal Structure Report Archive. (doi:10.5258/ecrystals/579)
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