Structure determination and molecular modelling of an unexpected side product of a cyclopropane lactone formation process

A new by-product has been isolated from the reaction mixture of a single electron transfer induced one-pot synthesis of a cyclopropane derivative. Molecular structure of the new compound has been determined by spectroscopic and single crystal X-ray diffraction methods. Formation of this indenofuran derivative has been rationalised on the basis of molecular modelling calculations at DFT level. q 2004 Elsevier B.V. All rights reserved