© 2016 CSIRO.Single crystal X-ray studies of p-t-butylcalixarene·2dmso·7H2O (1) and [NMe4][p-t-butylcalixarene-H]·2dmso·H2O (2), provide new data on these large macrocycles and their conformations, that of 2 being the first where an encapsulated [NMe4]+ cation is present, while 1 contains the neutral ligand. Both were obtained as crystalline products of the reactions of the calixarenes with tetramethylammonium hydroxide after prolonged standing. The structure of [NEt4][calixarene-H], in which the cation approaches inclusion in the shallow cone of the anion, is also defined and compared with various other alkylammonium derivatives of calixarenes as well as that of p-t-butylcalixarene.
Harrowfield, J. M., Koutsantonis, G. A., Ogden, M. I., Sobolev, A. N., & White, A. H. (2016). Deprotonation of Large Calixarenes-Cation Binding and Conformations. Australian Journal of Chemistry, 69(5), 546-554. https://doi.org/10.1071/CH15761