Sample Originator: Samantha K. Calleara and Michael B. Hursthousea.
Data Collection: Samantha K. Calleara
Structure Determination: Samantha K. Calleara.
University of Southamptona
C4H4O4
InChI=1/C4H6O6/c5-1(3(7)8)2(6)4(9)10/h1-2,5-6H,(H,7,8)(H,9,10)/t1-,2-/m0/s1
| Identification Number: | 10.5258/ecrystals/553 |
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| Date Created: | 05 August 2008 |
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| Deposited On: | 14 Apr 2009 20:54 |
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| Deposited By: | Dr Samantha K Callear |
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Data collection parameters
| Chemical formula | C4 H6 O6 |
| Crystal morphology | Block |
| Crystal system | Orthorhombic |
| Space group symbol | P212121 |
| Cell length a | 5.0003(3) |
| Cell length b | 5.9383(2) |
| Cell length c | 19.9866(10) |
| Cell angle alpha | 90.00 |
| Cell angle beta | 90.00 |
| Cell angle gamma | 90.00 |
| Data collection temperature | 120(2) |
Refinement results
| Solution figure of merit | |
| R Factor (Obs) | 0.0406 |
| R Factor (All) | 0.0504 |
| Weighted R Factor (Obs) | 0.0817 |
| Weighted R Factor (All) | 0.0873 |
Citation: Callear, Samantha K. and Hursthouse, Michael B. (2008) University of Southampton, Crystal Structure Report Archive. (doi:10.5258/ecrystals/553)
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