Pseudo-point groups and subsymmetry-itemized enumeration for characterizing the symmetries of tetrahydropyran and 1,3-dioxane derivatives

Abstract

The pseudo-point group Ĉ_2v is defined for characterizing the symmetries of tetrahydropyran and 1,3-dioxane. Their derivatives with a given formula and a given symmetry are enumerated by the unit subduced cycle index approach. Each derivative enumerated belongs to a subsymmetry of Ĉ_2v so as to be classified into isoenergetic (Type I, I′ or II) or anisoenergetic (Type III or IV). The orbits in the enumerated derivative are discussed by the sphericity and chronality terms.