Geometry of the fluorinated cis-decalin system: crystal and molecular structure of cis-perfluorobicyclo[4.4.0]decane-1,6-diol

Abstract

The structure of the title compound has been determined by a single-crystal X-ray analysis from three-dimensional counter data. Crystals are orthorhombic, space group Pbca, with Z= 8 in a cell of dimensions a= 10.30 ± 0.01, b= 18.50 ± 0.015, c= 14.75 ± 0.01 Å. The structure was established by direct methods and refined by least-squares to R 4.7% for 1 210 structure amplitudes. The molecule approximates to C₂ symmetry. Comparison with hydrocarbon analogues indicates that the carbon skeleton is significantly flatter, an effect due mainly to repulsive interactions involving the 2,4,7, and 9(axial)-fluoro-substituents.