Sample Originator: Samantha K. Calleara and Michael B. Hursthousea.
Data Collection: Samantha K. Calleara
Structure Determination: Samantha K. Calleara.
University of Southamptona
C16H32N2O8
InChI=1/C6H18N2.C5H8O4/c1-7(2)5-6-8(3)4;6-4(7)2-1-3-5(8)9/h7-8H,5-6H2,1-4H3;6,8H,1-3H2/q;-2/p-1
| Identification Number: | 10.5258/ecrystals/493 |
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| Date Created: | 10 July 2008 |
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| Deposited On: | 14 Jul 2008 17:59 |
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| Deposited By: | Dr Samantha K Callear |
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Data collection parameters
| Chemical formula | C16 H32 N2 O8 |
| Crystal morphology | Block |
| Crystal system | monoclinic |
| Space group symbol | P21/n |
| Cell length a | 17.308(2) |
| Cell length b | 9.0088(14) |
| Cell length c | 18.932(3) |
| Cell angle alpha | 90.00 |
| Cell angle beta | 105.305(7) |
| Cell angle gamma | 90.00 |
| Data collection temperature | 120(2) |
Refinement results
| Solution figure of merit | |
| R Factor (Obs) | 0.1472 |
| R Factor (All) | 0.3760 |
| Weighted R Factor (Obs) | 0.3334 |
| Weighted R Factor (All) | 0.4538 |
Citation: Callear, Samantha K. and Hursthouse, Michael B. (2008) University of Southampton, Crystal Structure Report Archive. (doi:10.5258/ecrystals/493)
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