Synthesis and Crystal Structure of bis[24]dithahexaphyrin(1.0.0.1.0.0)

抄録

The [24]dithahexaphyrin(1.0.0.1.0.0) dimer (bis[24]dithahexaphyrin(1.0.0.1.0.0)), molecular formula C₁₀₀H₉₄N₈S₄, was isolated. The crystal structure of the compound was determined by single-crystal X-ray diffraction at 200(2)K, and was assigned to the monoclinic space group P2₁/c with a = 14.8374(15)Å, b = 25.661(3)Å, c = 24.038(2)Å, β = 93.736(1)°, V = 9133.1(16)ų, D_x = 1.117 g/cm³, and Z = 4. From 18,645 independent reflections, R1 [I > 2σ(I)] was determined to be 0.0734, and wR2 was found to be 0.1683. This value was calculated for all of the reflection data. The dimer contains an antiaromatic molecule.