| Popis: |
The structure and conformation of the 9,10-annelated-1,4,5,8-tetraoxadecalins (3,4 and 5) were investigated in solution using NMR spectroscopy, in the crystal using X-ray diffraction analysis and by computation, using the MM2 force field, suitably parameterized to include structural manifestations of the anomeric effect. The study focused on the geometry, viz., the structural parameters of the anomeric moieties and the ring conformation and degree of puckering, as affected by changes in the dihedral angle of the 9,10-annelating system. Very good agreement between the three methods was obtained, showing increased chair deformation, as the 9,10-substituents approach coplanarity. |
