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The crystal and molecular structure of 9-methylphenanthro[4,3-a]dibenzothiophene
Authors:Michael J Quast  Gary E Martin  Vincent M Lynch  Stanley H Simonsen  John G Stuart  Marvin L Tedjamulia  Raymond N Castle  Milton L Lee
Abstract:The crystal structure of 9-methylphenanthro4,3-a]dibenzothiophene, C25H16S, Mr = 348.47, has been determined. Monoclinic, P21/c, a = 11.364(3), b, = 14.257(3), c = 11.575(2)Å, β = 116.26(2)°, V = 1681.9(7)Å3, Z = 4, Dx = 1.38 g/cc, MoKα radiation λ = .71069 Å, F(000) = 728, T = 163K, R = .0458 for 2330 reflections. The structure compares favorably with that of hexahelicene and methylated derivatives. The thiophene moiety increases the helical core radius and decreases the pitch with respect to hexahelicene and its derivatives.
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