Sample Originator: Mark E. Light, J. L. Jimenez, Michael B. Hursthouse, J. C. Palacios, R. Gordillo, F. R. Clemente, P. Cintas, R. Babiano and M. Avalos.
C36H38N2O10S
InChI=1/C36H38N2O10S/c1-23(39)45-22-30(46-24(2)40)31(47-25(3)41)32(48-26(4)42)33-36(49-33,28-17-11-7-12-18-28)34(43)38(29-19-13-8-14-20-29)35(44)37(5)21-27-15-9-6-10-16-27/h6-20,30-33H,21-22H2,1-5H3/t30-,31-,32+,33+,36+/m1/s1
| Identification Number: | 10.5258/ecrystals/131 |
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| Date Created: | 20 April 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
This manuscript describes a one-pot, selective synthesis of optically active thiiranes by [3+2] cycloaddition of mesoionic dipoles with sugar aldehydes. Overall, the result is the formation of monosaccharide mimetics that display numerous functional groups for molecular recognition.
Data collection parameters
| Chemical formula | C36 H38 N2 O10 S |
| Crystal morphology | |
| Crystal system | Monoclinic |
| Space group symbol | P2(1) |
| Cell length a | 7.8231(2) |
| Cell length b | 12.9445(3) |
| Cell length c | 17.3686(4) |
| Cell angle alpha | 90.00 |
| Cell angle beta | 95.6680(10) |
| Cell angle gamma | 90.00 |
| Data collection temperature | 180(2) |
Refinement results
| Solution figure of merit | 0.0947 |
| R Factor (Obs) | 0.0418 |
| R Factor (All) | 0.0475 |
| Weighted R Factor (Obs) | 0.1006 |
| Weighted R Factor (All) | 0.1037 |
Citation: Light, Mark E. and Jimenez, J. L. and Hursthouse, Michael B. and Palacios, J. C. and Gordillo, R. and Clemente, F. R. and Cintas, P. and Babiano, R. and Avalos, M. (2001) University of Southampton, Crystal Structure Report Archive. (doi:10.5258/ecrystals/131)
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