Sample Originator: Michael B. Hursthousea and Terence L. Threlfalla.
Data Collection: Samantha K. Calleara
Structure Determination: Samantha K. Calleara.
University of Southamptona
C8H19NO8
InChI=1/C4H10N.C4H6O6.H2O/c1-2-4-5-3-1;5-1(3(7)8)2(6)4(9)10;/h1-5H2;1-2,5-7,9H;1H2/q;-2;/p-1/t;1-,2-;/m.0./s1
| Identification Number: | 10.5258/ecrystals/587 |
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| Date Created: | 14 August 2008 |
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| Deposited On: | 14 Apr 2009 20:13 |
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| Deposited By: | Dr Samantha K Callear |
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Data collection parameters
| Chemical formula | C8 H19 N O8 |
| Crystal morphology | Plate |
| Crystal system | triclinic |
| Space group symbol | P-1 |
| Cell length a | 7.2670(45) |
| Cell length b | 7.3373(36) |
| Cell length c | 11.6052(51) |
| Cell angle alpha | 106.343(45) |
| Cell angle beta | 101.093(43) |
| Cell angle gamma | 93.796(58) |
| Data collection temperature | 120(2) |
Refinement results
| Solution figure of merit | |
| R Factor (Obs) | 0.0808 |
| R Factor (All) | 0.1574 |
| Weighted R Factor (Obs) | 0.1105 |
| Weighted R Factor (All) | 0.1360 |
Citation: Callear, Samantha K. and Hursthouse, Michael B. and Threlfall, Terence L. (2008) University of Southampton, Crystal Structure Report Archive. (doi:10.5258/ecrystals/587)
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