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
C23H20N2O6
InChI=1/C23H20N2O6/c1-22-16-17(19(27)25(18(16)26)15-11-7-4-8-12-15)23(31-22,21(29)30-2)20(28)24(22)13-14-9-5-3-6-10-14/h3-12,16-17H,13H2,1-2H3/q-4/t16-,17+,22+,23-/m1/s1
| Identification Number: | 10.5258/ecrystals/595 |
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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 13:22 |
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| Deposited By: | Dr Peter N Horton |
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Data collection parameters
| Chemical formula | C23 H20 N2 O6 |
| Crystal morphology | Cut Block |
| Crystal system | monoclinic |
| Space group symbol | P21/n |
| Cell length a | 21.5955(7) |
| Cell length b | 9.5241(3) |
| Cell length c | 30.6167(10) |
| Cell angle alpha | 90.00 |
| Cell angle beta | 107.4310(10) |
| Cell angle gamma | 90.00 |
| Data collection temperature | 120(2) |
Refinement results
| Solution figure of merit | 0.3388 |
| R Factor (Obs) | 0.0795 |
| R Factor (All) | 0.1262 |
| Weighted R Factor (Obs) | 0.1414 |
| Weighted R Factor (All) | 0.1653 |
Citation: McDonald, E and Horton, Peter N. and Hursthouse, Michael B. (2008) University of Southampton, Crystal Structure Report Archive. (doi:10.5258/ecrystals/595)
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