Sample Originator: E McDonalda.
Data Collection: Peter N. Hortonb
Structure Determination: Peter N. Hortonb and Michael B. Hursthouseb.
Institute of Cancer Researcha
University of Southamptonb
C24H23NO6
InChI=1/C24H23NO6/c1-3-30-22(28)24-14-13-23(31-24,15-9-11-17(29-2)12-10-15)18-19(24)21(27)25(20(18)26)16-7-5-4-6-8-16/h4-12,18-19H,3,13-14H2,1-2H3/q-3/t18-,19+,23+,24+/m0/s1
| Identification Number: | 10.5258/ecrystals/593 |
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| Controlled Keywords: | heterocycles, amides |
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| Date Created: | 17 July 2008 |
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| Deposited On: | 15 Aug 2008 12:18 |
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| Deposited By: | Dr Peter N Horton |
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Data collection parameters
| Chemical formula | C24 H23 N O6 |
| Crystal morphology | Cut Block |
| Crystal system | triclinic |
| Space group symbol | P-1 |
| Cell length a | 8.2973(3) |
| Cell length b | 13.8488(5) |
| Cell length c | 18.2558(5) |
| Cell angle alpha | 98.021(2) |
| Cell angle beta | 90.671(2) |
| Cell angle gamma | 91.166(2) |
| Data collection temperature | 120(2) |
Refinement results
| Solution figure of merit | 0.0810 |
| R Factor (Obs) | 0.1252 |
| R Factor (All) | 0.1586 |
| Weighted R Factor (Obs) | 0.3355 |
| Weighted R Factor (All) | 0.3725 |
Citation: McDonald, E and Horton, Peter N. and Hursthouse, Michael B. (2008) University of Southampton, Crystal Structure Report Archive. (doi:10.5258/ecrystals/593)
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