Crystal Structure of 2,7-Di-tert-butyl-10,11-diethoxycarbonyl-trans-9,12-epoxy-12b,12c-dimethyldihydrobenzo[e]pyrene

Abstract

The crystal structure of 2,7-di-tert-butyl-10,11-diethoxycarbonyl-trans-9,12-epoxy-12b,12c-dimethyldihydro-benzo[e]pyrene 1 was determined by X-ray diffraction. The compound crystallized in the monoclinic system, space group P2₁/c, with a = 18.0711(14)Å, b = 6.6532(5)Å, c = 23.7853(19)Å, β = 95.252(3)°. V = 2847.7(4)ų, Z = 4, D_calc = 1.224 Mg/m³. Bond alternation of the dihydropyrene periphery was observed by X-ray crystallographic analyses.