Conformational analysis of 1,2:3,4-di-O-isopropylidene-α-d-galacto-octopyranose derivatives: a 1H- and 13C-N.M.R.-spectral and x-ray comparative study

The equation is a cosine series in 8, the torsion angle between vicinal hydrogens. The feature which distinguishes this equation from similar equations is the inclusion of ASi terms, which describe the magnitude of each substituent's effect. These substituent constants have been defined from experimental data. An orientation effect which is dependent on the torsion angle(s) between substituent(s) and a vicinal hydrogen is included. Substituent constants have been defined for 39 groups, of which 15 have been experimentally determined herein. The parameters for the equation have been defined from 49 torsion angles in 19 conformationally rigid compounds. The torsion angles have been determined from x-ray crystal structure data and molecular mechanics calculations. The multiplicity of structures used to determine the substituent constants should allow for the application of this equation to a wide variety of structures.

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An equation utilizing empirically derived substituent constants for the prediction of vicinal coupling constants in substituted ethanes

Colucci

Jungk

Gandour

1985

Magnetic Reson in Chemistry

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Structures of 3-cyanohexahydronaphth-[2,3-e]-1,2-oxazines part 3: Comparison of the conformations of some 3-cyanotetrahydro-1, 2-oxazine ring systems

Holzapfel¹,

Kruger²,

Dyk³

1987

Journal of Crystallographic and Spectroscopic Research

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The crystal structure of a nonalkenic, cyclic trimer of levoglucosenone

Stevenson

Furneaux

Pang

et al. 1983

Carbohydrate Research

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Conformational analysis of 1,2:3,4-di-O-isopropylidene-α-d-galacto-octopyranose derivatives: a 1H- and 13C-N.M.R.-spectral and x-ray comparative study

Cited by 8 publications

References 24 publications

An equation utilizing empirically derived substituent constants for the prediction of vicinal coupling constants in substituted ethanes

An equation utilizing empirically derived substituent constants for the prediction of vicinal coupling constants in substituted ethanes

Structures of 3-cyanohexahydronaphth-[2,3-e]-1,2-oxazines part 3: Comparison of the conformations of some 3-cyanotetrahydro-1, 2-oxazine ring systems

The crystal structure of a nonalkenic, cyclic trimer of levoglucosenone

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