Acta Crystallographica Section E

Structure Reports Online

Volume 69, Part 5 (May 2013)

organic compounds

Acta Cryst. (2013). E69, o690    [ doi:10.1107/S1600536813008684 ]


D.-X. Xie and D.-L. An

Abstract: The title calix[4]arene compound [systematic name: 3,9,15,34-tetra-tert-butyl-19,29-dioxa-24-thia­hexa­cyclo­[,11.132,36.05,30.013,18]nona­triaconta-1(30),2,4,7,9,11(39),13,15,17,32,34,36(38)-dodeca­ene-38,39-diol], C52H70O4S, displays a cone-like conformation, the opposite arene rings bridged by the mono­thia­crown-3 unit are nearly parallel [dihedral angle = 16.01 (18)°], whereas the other opposite arene rings are twisted to each other at an angle of 74.41 (17)°. Intra­molecular O-H...O hydrogen bonds help to stabilize the mol­ecular structure. In the crystal, a C-H...[pi] inter­action occurs. One of the tert-butyl groups is disordered over two sets of sites with a site-occupancy ratio of 0.70:0.30.

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