STRUCTURE OF A C26H28 ALKENE FORMED VIA TITANIUM-PROMOTED REDUCTIVE DIMERIZATION OF NTACYCLO[5.4.0.0(2,6).0(3,10).0(5,9)]UNDECAN-8-ONE

A spiro-fused C26H28 ''cage'' dimer hydrocarbon contains two three-mem bered rings, two four-membered rings, eight five-membered rings, and t wo six-membered rings. The molecule is calculated by molecular mechani cs to have 902 kJ/mol of strain energy distributed primarily between a ngle strain (457 kJ/mol) and torsional interactions (368 kJ/mol). Mole cular mechanics calculations and a geometry-optimized ab initio calcul ation are used to analyze the bond lengths and bond angles in the mole cule. There is one major discrepancy between observed and calculated d istances.