Sample Originator: Samantha K. Calleara and Michael B. Hursthousea.
Data Collection: Samantha K. Calleara
Structure Determination: Samantha K. Calleara.
University of Southamptona
C8H17NO8
InChI=1/C4H10NO.C4H6O6.H2O/c1-3-6-4-2-5-1;5-1(3(7)8)2(6)4(9)10;/h1-5H2;1-2,5-6H,(H,7,8)(H,9,10);1H2/t;1-,2-;/m.1./s1
| Identification Number: | 10.5258/ecrystals/455 |
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| Date Created: | 04 June 2008 |
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| Deposited On: | 14 Jul 2008 17:02 |
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| Deposited By: | Dr Samantha K Callear |
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Data collection parameters
| Chemical formula | C8 H17 N O8 |
| Crystal morphology | Block |
| Crystal system | Triclinic |
| Space group symbol | P-1 |
| Cell length a | 7.6152(7) |
| Cell length b | 8.2002(11) |
| Cell length c | 10.1113(12) |
| Cell angle alpha | 98.680(10) |
| Cell angle beta | 106.417(8) |
| Cell angle gamma | 105.156(8) |
| Data collection temperature | 120(2) |
Refinement results
| Solution figure of merit | |
| R Factor (Obs) | 0.0358 |
| R Factor (All) | 0.0474 |
| Weighted R Factor (Obs) | 0.0869 |
| Weighted R Factor (All) | 0.0939 |
Citation: Callear, Samantha K. and Hursthouse, Michael B. (2008) University of Southampton, Crystal Structure Report Archive. (doi:10.5258/ecrystals/455)
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