Structure of a phenylbis(pentafluorophenyl)benzofulvene isomer obtained from the reaction of C6H5CCC6F5 with palladium dichloride

Article abstract of DOI:10.1016/0022-328X(90)80099-L

Phenylpentafluorophenylacetylene reacts with PdCl2 at room temperature to give several isomeric species.An X-ray study of one isomer has shown it to be 1,2-bis(pentafluorophenyl)-3-phenylbenzofulvene.The individual five- and six-membered rings are all planar, but the five-membered ring shows a significant dihedral angle of 5.4(2) deg with the fused benzene ring.The fluorine atoms are displaced by no more than 0.09(1) Angstroem from the least-squares ring-plane to which they are attached.