Sample Originator: Samantha K. Calleara and Michael B. Hursthousea.
Data Collection: Samantha K. Calleara
Structure Determination: Samantha K. Calleara.
University of Southamptona
C6H11NO5
InChI=1/3C4H4O4.C2H8NO/c3*5-3(6)1-2-4(7)8;3-1-2-4/h3*1-2,5,7H;4H,1-2H2,3H3/q3*-2;/p-3/b3*2-1+;
| Identification Number: | 10.5258/ecrystals/494 |
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| Date Created: | 10 July 2008 |
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| Deposited On: | 24 Feb 2010 15:22 |
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| Deposited By: | Dr Samantha K Callear |
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Data collection parameters
| Chemical formula | C6 H11 N O5 |
| Crystal morphology | Plate |
| Crystal system | triclinic |
| Space group symbol | P-1 |
| Cell length a | 8.1621(6) |
| Cell length b | 9.3259(5) |
| Cell length c | 21.3026(12) |
| Cell angle alpha | 86.922(4) |
| Cell angle beta | 88.863(3) |
| Cell angle gamma | 87.350(4) |
| Data collection temperature | 120(2) |
Refinement results
| Solution figure of merit | |
| R Factor (Obs) | 0.1472 |
| R Factor (All) | 0.2172 |
| Weighted R Factor (Obs) | 0.2733 |
| Weighted R Factor (All) | 0.3410 |
Citation: Callear, Samantha K. and Hursthouse, Michael B. (2008) University of Southampton, Crystal Structure Report Archive. (doi:10.5258/ecrystals/494)
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