Figure 3.
B3LYP/6-311++G**-calculated structural parameters [bond lengths (in angstrom) and bond angles (in degree)] and natural atomic charges (NAC, in parenthesis) for the axial conformations of compounds 1–3.
B3LYP/6-311++G**-calculated structural parameters [bond lengths (in angstrom) and bond angles (in degree)] and natural atomic charges (NAC, in parenthesis) for the axial conformations of compounds 1–3.