Sample Originator: Samantha K. Calleara and Michael B. Hursthousea.
Data Collection: Samantha K. Calleara
Structure Determination: Samantha K. Calleara.
University of Southamptona
C6H13NO5
InChI=1/2C4H6O4.C2H8NO/c2*5-3(6)1-2-4(7)8;3-1-2-4/h2*5,7H,1-2H2;4H,1-2H2,3H3/q2*-2;/p-2
| Identification Number: | 10.5258/ecrystals/506 |
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| Date Created: | 10 July 2008 |
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| Deposited On: | 14 Jul 2008 17:06 |
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| Deposited By: | Dr Samantha K Callear |
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Data collection parameters
| Chemical formula | C6 H13 N O5 |
| Crystal morphology | |
| Crystal system | triclinic |
| Space group symbol | P-1 |
| Cell length a | 5.7652(4) |
| Cell length b | 8.2911(5) |
| Cell length c | 9.0772(4) |
| Cell angle alpha | 87.558(4) |
| Cell angle beta | 73.569(4) |
| Cell angle gamma | 81.599(3) |
| Data collection temperature | 120(2) |
Refinement results
| Solution figure of merit | |
| R Factor (Obs) | 0.0617 |
| R Factor (All) | 0.0868 |
| Weighted R Factor (Obs) | 0.1135 |
| Weighted R Factor (All) | 0.1267 |
Citation: Callear, Samantha K. and Hursthouse, Michael B. (2008) University of Southampton, Crystal Structure Report Archive. (doi:10.5258/ecrystals/506)
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