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- W2986095635 abstract "The structures of the diastereomers of aquacyanocobinamide and aquacyanocobester were determined by 2-dimensional NMR and comparison with the known X-ray crystal structure of α-cyano-β-aqua-cobyric acid (COBYIC). The α-CN− ligand of α-cyano-β-aqua-cobinamide and α-cyano-β-aqua-cobester is bent away from the C20 methyl group. Hydrogen bonding takes place between the β-OH2 ligand and the c-acetamide side-chain of α-cyano-β-aqua-cobinamide and, to a lesser extent, in α-cyano-β-aqua-cobester, as with α-cyano-β-aqua-cobyric acid. The presence of different side-chains in aquacyanocobinamide and aquacyanocobester has a notable effect on the corrin ring. A cis-effect of the axial ligands CN− and H2O is observed for the delocalised carbon atoms of the corrin ring and for the hydrogen attached to C10 in both diastereomers of aquacyanocobinamide and aquacyanocobester. Two-dimensional 1H and 13C NMR spectroscopy provides a convenient substitute for X-ray crystallography in determining the structures of diastereomers of corrinoids with CN− and H2O as axial ligands." @default.
- W2986095635 created "2019-11-22" @default.
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- W2986095635 date "2020-01-01" @default.
- W2986095635 modified "2023-09-24" @default.
- W2986095635 title "Use of 13C and 1H NMR to determine the structure of the diastereomeric cobalt corrinoids aquacyanocobinamide and aquacyanocobester" @default.
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- W2986095635 doi "https://doi.org/10.1016/j.poly.2019.114203" @default.
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