Sample Originator: Samantha K. Calleara and Michael B. Hursthousea.
Data Collection: Samantha K. Calleara
Structure Determination: Samantha K. Calleara.
University of Southamptona
C7H5NO4
InChI=1/C6H10O4.CH6N/c7-5(8)3-1-2-4-6(9)10;1-2/h7,9H,1-4H2;1-2H3/q-2;
| Identification Number: | 10.5258/ecrystals/555 |
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| Date Created: | 05 August 2008 |
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| Deposited On: | 14 Apr 2009 20:52 |
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| Deposited By: | Dr Samantha K Callear |
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Data collection parameters
| Chemical formula | C7 H15 N O4 |
| Crystal morphology | Block |
| Crystal system | triclinic |
| Space group symbol | P-1 |
| Cell length a | 7.2807(4) |
| Cell length b | 7.9336(5) |
| Cell length c | 9.4910(6) |
| Cell angle alpha | 67.216(2) |
| Cell angle beta | 76.457(3) |
| Cell angle gamma | 67.849(4) |
| Data collection temperature | 120(2) |
Refinement results
| Solution figure of merit | |
| R Factor (Obs) | 0.0546 |
| R Factor (All) | 0.0746 |
| Weighted R Factor (Obs) | 0.1077 |
| Weighted R Factor (All) | 0.1197 |
Citation: Callear, Samantha K. and Hursthouse, Michael B. (2008) University of Southampton, Crystal Structure Report Archive. (doi:10.5258/ecrystals/555)
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