T. Manisekaran et al., STRUCTURE OF 1,4-BIS(3-THIANAPHTHYL)-BUTA-1,3-DIYNE, Molecular crystals and liquid crystals science and technology. Section A, Molecular crystals and liquid crystals, 268, 1995, pp. 101-106
1,4-bis(3-thianaphthyl)-buta-1,3-diyne, C20S2H10, M(r) = 314.43, m.p =
438 K, monoclinic, P2(1)/c, a = 13.276(1), b = 3.958(1), c = 14.120(3
) Angstrom. beta = 92.11(1)degrees, V = 741.45 Angstrom(3), Z = 2, D-x
= 1.408 gm.cm(-3), mu = 3.36 cm(-1), F(000) = 324.0, lambda(MoKalpha)
= 0.71073 Angstrom, T = 300 K, final R and wR are 0.0303 and 0.0433 r
espectively using 1022 observations used in structure factor calculati
on. The monomer structure (with D = 3.664 Angstrom, S-1 = 3.5 02 Angst
rom and the angle tau(1) = 62.25 degrees) does not satisfy the require
ments for topochemical polymerisation (Wegner, 1977).