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The Synthesis and the X‐Ray Structure of 1,4‐Bis(2‐{4‐[2‐(4‐methylthiophenyl)ethynyl]phenyl}ethynyl)‐2,5‐dihexyloxybenzene
Authors:Cuihua Xue  Fen‐Tair Luo
Abstract:The synthesis and the single crystal structure of the title compound (I), C52H50O2S2, consisting of five benzene rings and four carbon‐carbon triple bonds and with methylthio groups at both ends were described. The distance, according to the X‐ray data, between the two ended sulfur atoms of compound (I) was close to the calculated value from Spartan'04//Hartree‐Fock//3–21G(*). The dihedral angle between the adjacent two benzene rings in this linear conjugated molecule is about 17°.
Keywords:Oligo(p‐phenylene‐ethynylene)s  OPEs  Sonogashira reaction  Molecular wires  Conjugated oligomers
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