5,11,17,23-Tetra-tert-butyl-25,26,27,28-tetramethoxycalix[4]arene tetrahydrofuran solvate

Fischer, Conrad, Gruber, Tobias, Seichter, Wilhelm and Weber, Edwin (2007) 5,11,17,23-Tetra-tert-butyl-25,26,27,28-tetramethoxycalix[4]arene tetrahydrofuran solvate. Acta Crystallographica Section E: Structure Reports Online, 63 (12). o4572-o4573. ISSN 0365-110X

Full content URL: http://dx.doi.org/10.1107/S1600536807053925


Item Type:Article
Item Status:Live Archive


The asymmetric unit of the title compound, C44H64O4·C4H8O, comprises two crystallographically independent calixarene mol-ecules, which display a partial cone conformation, and two tetrahydrofuran molecules. The crystal packing is stabilized by C - H⋯π contacts involving the meth-oxy groups, while the solvent mol-ecules are located in voids between the calixarene molecules. Two of the tert-butyl residues of each calixarene mol-ecule are disordered over two positions [0.74/0.26 (ring B), 0.71/0.29 (ring C), 0.77/0.23 (ring C′), 0.67/0.33 (ring D′)], resulting in bond distances that deviate from ideal values.

Keywords:X-ray diffraction, Crystal engineering
Subjects:F Physical Sciences > F131 Crystallography
F Physical Sciences > F160 Organic Chemistry
Divisions:College of Science > School of Pharmacy
ID Code:20023
Deposited On:14 Jan 2016 21:23

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