Sample Originator: Samantha K. Calleara and Michael B. Hursthousea.
Data Collection: Samantha K. Calleara
Structure Determination: Samantha K. Calleara.
University of Southamptona
C14H24N2O8
InChI=1/C6H18N2.C4H4O4/c1-7(2)5-6-8(3)4;5-3(6)1-2-4(7)8/h7-8H,5-6H2,1-4H3;1-2,5,7H/q;-2/p-1/b;2-1
| Identification Number: | 10.5258/ecrystals/511 |
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| Date Created: | 14 July 2008 |
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| Deposited On: | 14 Jul 2008 17:03 |
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| Deposited By: | Dr Samantha K Callear |
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Data collection parameters
| Chemical formula | C14 H24 N2 O8 |
| Crystal morphology | Lath |
| Crystal system | monoclinic |
| Space group symbol | P21/c |
| Cell length a | 5.7536(6) |
| Cell length b | 14.855(2) |
| Cell length c | 10.1829(15) |
| Cell angle alpha | 90.00 |
| Cell angle beta | 100.799(9) |
| Cell angle gamma | 90.00 |
| Data collection temperature | 120(2) |
Refinement results
| Solution figure of merit | |
| R Factor (Obs) | 0.1029 |
| R Factor (All) | 0.1739 |
| Weighted R Factor (Obs) | 0.1553 |
| Weighted R Factor (All) | 0.1835 |
Citation: Callear, Samantha K. and Hursthouse, Michael B. (2008) University of Southampton, Crystal Structure Report Archive. (doi:10.5258/ecrystals/511)
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