Sample Originator: Samantha K. Calleara and Michael B. Hursthousea.
Data Collection: Samantha K. Calleara
Structure Determination: Samantha K. Calleara.
University of Southamptona
C10H20N2O5
InChI=1/C10H19N2O4.H2O/c1-11-3-5-12(6-4-11)8(10(14)15)7-9(13)16-2;/h8,11H,3-7H2,1-2H3,(H,14,15);1H2/t8-;/m1./s1
| Identification Number: | 10.5258/ecrystals/564 |
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| Date Created: | 06 August 2008 |
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| Deposited On: | 15 Nov 2009 17:26 |
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| Deposited By: | Dr Samantha K Callear |
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Data collection parameters
| Chemical formula | C10 H20 N2 O5 |
| Crystal morphology | Block |
| Crystal system | triclinic |
| Space group symbol | P-1 |
| Cell length a | 6.5398(2) |
| Cell length b | 9.4992(4) |
| Cell length c | 10.2235(3) |
| Cell angle alpha | 91.506(2) |
| Cell angle beta | 91.388(2) |
| Cell angle gamma | 107.346(2) |
| Data collection temperature | 120(2) |
Refinement results
| Solution figure of merit | |
| R Factor (Obs) | 0.0441 |
| R Factor (All) | 0.0653 |
| Weighted R Factor (Obs) | 0.1041 |
| Weighted R Factor (All) | 0.1151 |
Citation: Callear, Samantha K. and Hursthouse, Michael B. (2008) University of Southampton, Crystal Structure Report Archive. (doi:10.5258/ecrystals/564)
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