Sample Originator: Michael B. Hursthousea and Terence L. Threlfalla.
Data Collection: Samantha K. Calleara
Structure Determination: Samantha K. Calleara.
University of Southamptona
C8H17NO6
InChI=1/C4H12N.C4H6O6/c1-3-5-4-2;5-1(3(7)8)2(6)4(9)10/h3-5H2,1-2H3;1-2,5-6H,(H,7,8)(H,9,10)/t;1-,2-/m.1/s1
| Identification Number: | 10.5258/ecrystals/588 |
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| Date Created: | 14 August 2008 |
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| Deposited On: | 14 Apr 2009 20:10 |
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| Deposited By: | Dr Samantha K Callear |
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Data collection parameters
| Chemical formula | C8 H17 N O6 |
| Crystal morphology | Fragment |
| Crystal system | monoclinic |
| Space group symbol | P21/c |
| Cell length a | 8.1431(13) |
| Cell length b | 9.4941(19) |
| Cell length c | 14.362(3) |
| Cell angle alpha | 90.00 |
| Cell angle beta | 94.415(15) |
| Cell angle gamma | 90.00 |
| Data collection temperature | 120(2) |
Refinement results
| Solution figure of merit | |
| R Factor (Obs) | 0.0458 |
| R Factor (All) | 0.0678 |
| Weighted R Factor (Obs) | 0.0940 |
| Weighted R Factor (All) | 0.1044 |
Citation: Callear, Samantha K. and Hursthouse, Michael B. and Threlfall, Terence L. (2008) University of Southampton, Crystal Structure Report Archive. (doi:10.5258/ecrystals/588)
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