Sample Originator: Michael B. Hursthouse and Mark E. Light.
C23H26O8
InChI=1/C23H26O8/c1-25-15-7-6-12(8-16(15)26-2)21-19-14(11-30-21)20(31-23(19)24)13-9-17(27-3)22(29-5)18(10-13)28-4/h6-10,14,19-21H,11H2,1-5H3/t14-,19-,20+,21-/m1/s1
| Identification Number: | 10.5258/ecrystals/113 |
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| Date Created: | 26 March 2001 |
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| Deposited On: | 21 Jan 2008 15:29 |
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| Deposited By: | A.N. Admin |
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Depositor Comments
The X-ray study of the title compound, C23H26O8, (I), confirmed the endo,exo-furofuranone structure of the important intermediate compound in the process of the total synthesis of (±)-epimagnolin A, which employs a new approach involving a highly diastereoselective C-H insertion reaction [Brown et al. (2001). Tetrahedron Lett. 42, 473-475].
Data collection parameters
| Chemical formula | C23 H26 O8 |
| Crystal morphology | |
| Crystal system | Monoclinic |
| Space group symbol | P2(1)/n |
| Cell length a | 11.839(2) |
| Cell length b | 8.0773(10) |
| Cell length c | 22.695(4) |
| Cell angle alpha | 90.00 |
| Cell angle beta | 91.84(3) |
| Cell angle gamma | 90.00 |
| Data collection temperature | 150(2) |
Refinement results
| Solution figure of merit | 0.0998 |
| R Factor (Obs) | 0.0864 |
| R Factor (All) | 0.2721 |
| Weighted R Factor (Obs) | 0.2145 |
| Weighted R Factor (All) | 0.3345 |
Citation: Hursthouse, Michael B. and Light, Mark E. (2001) University of Southampton, Crystal Structure Report Archive. (doi:10.5258/ecrystals/113)
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