Sample Originator: Samantha K. Calleara and Michael B. Hursthousea.
Data Collection: Samantha K. Calleara
Structure Determination: Samantha K. Calleara.
University of Southamptona
C24H52N2O9
InChI=1/C8H20N.C4H6O4.H2O/c1-7(2,3)6-8(4,5)9;5-3(6)1-2-4(7)8;/h6H2,1-5,9H3;5,7H,1-2H2;1H2/q;-2;/p-1
| Identification Number: | 10.5258/ecrystals/517 |
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| Date Created: | 14 July 2008 |
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| Deposited On: | 14 Jul 2008 17:41 |
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| Deposited By: | Dr Samantha K Callear |
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Data collection parameters
| Chemical formula | C24 H52 N2 O9 |
| Crystal morphology | Plate |
| Crystal system | monoclinic |
| Space group symbol | P21/c |
| Cell length a | 13.5580(5) |
| Cell length b | 9.1910(3) |
| Cell length c | 25.2770(9) |
| Cell angle alpha | 90.00 |
| Cell angle beta | 105.232(2) |
| Cell angle gamma | 90.00 |
| Data collection temperature | 120(2) |
Refinement results
| Solution figure of merit | |
| R Factor (Obs) | 0.1087 |
| R Factor (All) | 0.2073 |
| Weighted R Factor (Obs) | 0.1563 |
| Weighted R Factor (All) | 0.1961 |
Citation: Callear, Samantha K. and Hursthouse, Michael B. (2008) University of Southampton, Crystal Structure Report Archive. (doi:10.5258/ecrystals/517)
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