Sample Originator: Samantha K. Calleara and Michael B. Hursthousea.
Data Collection: Samantha K. Calleara
Structure Determination: Samantha K. Calleara.
University of Southamptona
C30H50N4O12
InChI=1/3C8H14O4.2C3H5N2/c3*9-7(10)5-3-1-2-4-6-8(11)12;2*1-2-5-3-4-1/h3*1-6H2,(H,9,10)(H,11,12);2*1-5H
| Identification Number: | 10.5258/ecrystals/457 |
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| Date Created: | 04 June 2008 |
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| Deposited On: | 14 Jul 2008 22:16 |
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| Deposited By: | Dr Samantha K Callear |
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Data collection parameters
| Chemical formula | C30 H50 N4 O12 |
| Crystal morphology | Fragment |
| Crystal system | triclinic |
| Space group symbol | P-1 |
| Cell length a | 8.7148(3) |
| Cell length b | 11.4826(3) |
| Cell length c | 16.9691(5) |
| Cell angle alpha | 81.721(2) |
| Cell angle beta | 81.814(2) |
| Cell angle gamma | 77.987(2) |
| Data collection temperature | 120(2) |
Refinement results
| Solution figure of merit | |
| R Factor (Obs) | 0.0523 |
| R Factor (All) | 0.0908 |
| Weighted R Factor (Obs) | 0.1232 |
| Weighted R Factor (All) | 0.1421 |
Citation: Callear, Samantha K. and Hursthouse, Michael B. (2008) University of Southampton, Crystal Structure Report Archive. (doi:10.5258/ecrystals/457)
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