Crystal structure of Tetracyclo[5,3,1,1^2,6,0^4,9]dodecane (iceane)

Abstract

The crystal structure of the title compound, C₁₂H₁₈, has been determined at 295 K by X-ray diffraction and refined by full-matrix least squares to a residual of 0.049 for 216 ?observed? reflections; molecular geometry has been corrected for the effects of thermal motion using a rigid body approximation. Crystals are hexagonal, P63/m, a = 6.582(1), c = 11.843(3) Ǻ, Z = 2, the molecules occupying a hexagonal close- packed array.