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
C24H23NO5
InChI=1/C24H23NO5/c1-3-29-22(28)24-14-13-23(30-24,16-11-9-15(2)10-12-16)18-19(24)21(27)25(20(18)26)17-7-5-4-6-8-17/h4-12,18-19H,3,13-14H2,1-2H3/q-3/t18-,19+,23+,24+/m0/s1
| Identification Number: | 10.5258/ecrystals/594 |
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| Controlled Keywords: | heterocycles, amides |
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| Date Created: | 16 July 2008 |
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| Deposited On: | 15 Aug 2008 13:13 |
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| Deposited By: | Dr Peter N Horton |
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Data collection parameters
| Chemical formula | C24 H23 N O5 |
| Crystal morphology | Cut Block |
| Crystal system | monoclinic |
| Space group symbol | P21/c |
| Cell length a | 26.8727(5) |
| Cell length b | 11.8039(2) |
| Cell length c | 12.7914(3) |
| Cell angle alpha | 90.00 |
| Cell angle beta | 100.3740(10) |
| Cell angle gamma | 90.00 |
| Data collection temperature | 120(2) |
Refinement results
| Solution figure of merit | 0.0892 |
| R Factor (Obs) | 0.0430 |
| R Factor (All) | 0.0636 |
| Weighted R Factor (Obs) | 0.0942 |
| Weighted R Factor (All) | 0.1028 |
Citation: McDonald, E and Horton, Peter N. and Hursthouse, Michael B. (2008) University of Southampton, Crystal Structure Report Archive. (doi:10.5258/ecrystals/594)
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