Gallagher, John F. ORCID: 0000-0002-7112-7450, Ferguson, George, Böhmer, Volker and Kraft, Dagmar (1994) Self inclusion in a calix[5]arene structure; structure of the cone conformer of a pentahydroxy-p-tert-butylcalix[5]arene. Acta Crystallographica Section C, 50 (1). pp. 73-77. ISSN 0108-2701
Abstract
The pentahydroxy-p-tert-butylcalix[5]arene, 5,11,17,-
23,29-penta-tert-butylhexacyclo[25.3.1.13,7.19,13.115,19._
121,25 ] pentatriaconta- 1 (31),3,5,7 (35),9,11,13(34), 15,17,-
19(33),21,23,25 (32),27,29-pentadecaene-31,32,3 3,34,-
35-pentaol-n-hexane (1/0.3), C55H70Os.0.3C6HI4 (I),
adopts an open distorted chalice-shaped conformation in
the solid state, primarily through O--H...O intramolecular
hydrogen bonding involving all of the aromatic hydroxyl
groups. The five phenolic O.- .O separations are in
the range 2.735 (7)-2.880 (8) ,~ [mean 2.793 (8) ,4,], with
all hydroxyl H atoms disordered equally over two sites.
The aromatic rings are tilted back from the calixarene
cavity producing a pentagonal-shaped cavity in which the
tert-butyl group of a neighboring calix[5]arene related by
a c-glide is enclathrated. This self-inclusion process extends through the lattice as a one-dimensional molecular
'zipper'.
Metadata
Item Type: | Article (Published) |
---|---|
Refereed: | Yes |
Subjects: | Physical Sciences > Organic chemistry Physical Sciences > Crystallography |
DCU Faculties and Centres: | DCU Faculties and Schools > Faculty of Science and Health > School of Chemical Sciences |
Publisher: | International Union of Crystallography |
Official URL: | http://dx.doi.org/10.1107/S0108270193007152 |
Copyright Information: | © 1994 International Union of Crystallography |
Use License: | This item is licensed under a Creative Commons Attribution-NonCommercial-Share Alike 3.0 License. View License |
ID Code: | 2468 |
Deposited On: | 11 Mar 2009 18:03 by DORAS Administrator . Last Modified 10 Oct 2018 12:47 |
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