Structure of 5,17-dimethyl-11,23-dioctylcalixarene

Article abstract of DOI:10.1007/BF01158978

The title compound C46O4H60 crystallizes in the triclinic space group, P<*>1, with a = 11.584(2), b = 16.261(2), c = 11.172(1) Angstroem, α = 103.15(8), β = 95.68(1), γ = 96.85(1) deg.The structure was solved by direct methods, and refined by weighted full-matrix least squares to R = 0.097.This is the second calix<4>arene with two different alkyl substituents at para positions of the phenolic rings.The macrocycle adopts the cone conformation.Interactions CH3-? are established between two calixarenes related by a center of symmetry.Comparisons are made between the conformation of this molecule and that of symmetrically substituted calix<4>arenes.