Molecular inclusion in functionalized macrocycles. Part 12. Crystal and molecular structure of ap-(1,1,3,3)-tetramethylbutylcalix[8]arene octapodand

The title compound was obtained as colourless transparent prismatic crystals (from acetone/methanol 1:1), space groupPa=16.647(2),b=16.447(2),c=14.269(3) Å, =108.56(3), =105.63(3), =87.23(3)°,Z=1,D_calc=1.03 g cm^–3. Refinement was carried out using 2863 reflections, withI>(I). The molecule, which lies on a center of symmetry, possesses a roughly ellipsoidal shape with two sets of four phenolic nuclei following a helical arrangement. The polyether chains of two adjacent phenolic units partially fill the intramolecular cavity. No guest molecules are present.Supplementary Data relating to this article are deposited with the British Library as Supplementary Publication SUP 82025 (22 pages).For part 11 see [1].