
%0 Journal Article
%A Delaigue, Xavier 
%A Harrowfield, Jack M. 
%A Hosseini, M. Wais 
%A Mocerino, Mauro 
%A Skelton, Brian W. 
%A White, Allan H. 
%T 'Soft' Calixarenes&ndash;Structural Aspects of Calixarene Allyl Ethers and of Thiacalixarene Synthesis
%J Australian Journal of Chemistry
%D 1998/04/02
%V 51
%N 2
%P 111-122
%K 
%R https://doi.org/10.1071/C97095
%U https://www.publish.csiro.au/paper/C97095 
%X Syntheses and room-temperature single-crystal X-ray structure determinations are recorded for an array of p-t-butylcalix&#91;n&#93;arenes, n = 4 or 6, diversely functionalized at the phenolic oxygen atoms: the 1,3-diallyl 2,4-dimethyl ether for n = 4 (1), the hexaallyl ether for n = 6 (2), and the 1,3-dibenzyl 2,4-bis(dimethylthiocarbamoyl) derivative for n = 4 (3), with a view to establishing ligand baseline conformations for subsequent metal complexation studies, and for exploring any inclusion properties. Compound (1) is monoclinic, P21/c, a 16&#183;751(9), b 20&#183;772(7), c 27&#183;91(1) &#197;, &#946; 99&#183;39(4)&#176;, Z = 8, conventional R on &#124;F&#124; being 0&#183;060 for No 4396 &#39;observed&#39; (I &#62; 3&#963;(I )) reflections. Compound (2) is triclinic, P-1, a 19&#183;63(2), b 14&#183;57(2), c 14&#183;188(9) &#197;, &#945; 107&#183;84(8), &#946; 93&#183;26(7), &#947; 99&#183;48(10)&#176;, Z = 2, R 0&#183;067 for No 7315. Compound (3), as its methanol monosolvate, is triclinic, P-1, a 15&#183;592(4), b 15&#183;17(3), c 14&#183;31(2) &#197;, &#945; 88&#183;8(1), &#946; 64&#183;3(1), &#947; 75&#183;7(1)&#176;, Z = 2, R 0&#183;076 for No 3802. The conformation of (1) is similar to that previously established for an analogue in which two of the t-butyl groups were absent; the conformation of (2) is that of a flattened 1,2,3-alternate form, the asymmetric unit being a pair of half (centrosymmetric) dimers; the conformation of (3) is 1,3-alternate. 
