Sample Originator: Mark E. Light, J. L. Jimenez, Michael B. Hursthouse, P. Cintas, R. Babiano, M. Avalos, M. J. Arevalo and J. C. Palacios.



Identification Number:10.5258/ecrystals/117
Date Created:26 September 2001
Deposited On:21 Jan 2008 15:29
Deposited By:A.N. Admin

Depositor Comments

A mesoionic acyclic C-nucleoside 4, generated readily from δ-gluconolactone in a few synthetic steps, serves as the chiral core to construct a series of functionalized nucleosides bearing 2-aza-7-thiabicycle[2.2.1]heptane or 2-(1H)-pyridone moieties as the aglycon. The key step involves a [3+2] cycloaddition of 4 with several olefinic dipolarophiles followed by hydrogen sulfide elimination with mercury(II) acetate.

Data collection parameters

Chemical formulaC28 H32 N2 O11 S
Crystal morphology
Crystal systemOrthorhombic
Space group symbolP2(1)2(1)2(1)
Cell length a10.9877(7)
Cell length b11.9703(8)
Cell length c22.4663(18)
Cell angle alpha90.00
Cell angle beta90.00
Cell angle gamma90.00
Data collection temperature120(2)

Refinement results

Solution figure of merit0.1386
R Factor (Obs)0.0848
R Factor (All)0.3088
Weighted R Factor (Obs)0.1318
Weighted R Factor (All)0.1930

Citation: Light, Mark E. and Jimenez, J. L. and Hursthouse, Michael B. and Cintas, P. and Babiano, R. and Avalos, M. and Arevalo, M. J. and Palacios, J. C. (2001) University of Southampton, Crystal Structure Report Archive. (doi:10.5258/ecrystals/117)
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