Sample Originator: Samantha K. Calleara and Michael B. Hursthousea.
Data Collection: Samantha K. Calleara
Structure Determination: Samantha K. Calleara and Simon J. Colesa.
University of Southamptona
C20H48N2O8
InChI=1/C8H20N.C4H6O6.H2O/c1-7(2,3)6-8(4,5)9;5-1(3(7)8)2(6)4(9)10;/h6H2,1-5,9H3;1-2,5-7,9H;1H2/q;-2;/p-2/t;1-,2-;/m.0./s1
| Identification Number: | 10.5258/ecrystals/503 |
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| Date Created: | 10 July 2008 |
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| Deposited On: | 28 Mar 2012 09:13 |
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| Deposited By: | Dr Samantha K Callear |
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Data collection parameters
| Chemical formula | C20 H48 N2 O8 |
| Crystal morphology | Plate |
| Crystal system | triclinic |
| Space group symbol | P-1 |
| Cell length a | 8.3059(4) |
| Cell length b | 10.8568(8) |
| Cell length c | 15.6687(11) |
| Cell angle alpha | 71.627(3) |
| Cell angle beta | 77.606(4) |
| Cell angle gamma | 81.799(4) |
| Data collection temperature | 120(2) |
Refinement results
| Solution figure of merit | |
| R Factor (Obs) | 0.1202 |
| R Factor (All) | 0.2055 |
| Weighted R Factor (Obs) | 0.2302 |
| Weighted R Factor (All) | 0.2818 |
Citation: Callear, Samantha K. and Hursthouse, Michael B. and Coles, Simon J. (2008) University of Southampton, Crystal Structure Report Archive. (doi:10.5258/ecrystals/503)
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