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5,11,17,23-Tetra­kis(1,1-di­methyl­eth­yl)-26,28-di­hydroxy­calix[4]arene-25,27-mono­thia­crown-3

The title calix[4]arene compound [systematic name: 3,9,15,34-tetra-tert-butyl-19,29-dioxa-24-thia­hexa­cyclo­[15.13.7.1(7,11).1(32,36).0(5,30).0(13,18)]nona­triaconta-1(30),2,4,7,9,11(39),13,15,17,32,34,36(38)-dodeca­ene-38,39-diol], C(52)H(70)O(4)S, displays a cone-like conformation, the opposite a...

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Detalles Bibliográficos
Autores principales: Xie, De-Xun, An, De-Lie
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2013
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3647882/
https://www.ncbi.nlm.nih.gov/pubmed/23723848
http://dx.doi.org/10.1107/S1600536813008684
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author Xie, De-Xun
An, De-Lie
author_facet Xie, De-Xun
An, De-Lie
author_sort Xie, De-Xun
collection PubMed
description The title calix[4]arene compound [systematic name: 3,9,15,34-tetra-tert-butyl-19,29-dioxa-24-thia­hexa­cyclo­[15.13.7.1(7,11).1(32,36).0(5,30).0(13,18)]nona­triaconta-1(30),2,4,7,9,11(39),13,15,17,32,34,36(38)-dodeca­ene-38,39-diol], C(52)H(70)O(4)S, 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⋯π 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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spelling pubmed-36478822013-05-30 5,11,17,23-Tetra­kis(1,1-di­methyl­eth­yl)-26,28-di­hydroxy­calix[4]arene-25,27-mono­thia­crown-3 Xie, De-Xun An, De-Lie Acta Crystallogr Sect E Struct Rep Online Organic Papers The title calix[4]arene compound [systematic name: 3,9,15,34-tetra-tert-butyl-19,29-dioxa-24-thia­hexa­cyclo­[15.13.7.1(7,11).1(32,36).0(5,30).0(13,18)]nona­triaconta-1(30),2,4,7,9,11(39),13,15,17,32,34,36(38)-dodeca­ene-38,39-diol], C(52)H(70)O(4)S, 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⋯π 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. International Union of Crystallography 2013-04-10 /pmc/articles/PMC3647882/ /pubmed/23723848 http://dx.doi.org/10.1107/S1600536813008684 Text en © Xie and An 2013 http://creativecommons.org/licenses/by/2.0/uk/ This is an open-access article distributed under the terms of the Creative Commons Attribution Licence, which permits unrestricted use, distribution, and reproduction in any medium, provided the original authors and source are cited.
spellingShingle Organic Papers
Xie, De-Xun
An, De-Lie
5,11,17,23-Tetra­kis(1,1-di­methyl­eth­yl)-26,28-di­hydroxy­calix[4]arene-25,27-mono­thia­crown-3
title 5,11,17,23-Tetra­kis(1,1-di­methyl­eth­yl)-26,28-di­hydroxy­calix[4]arene-25,27-mono­thia­crown-3
title_full 5,11,17,23-Tetra­kis(1,1-di­methyl­eth­yl)-26,28-di­hydroxy­calix[4]arene-25,27-mono­thia­crown-3
title_fullStr 5,11,17,23-Tetra­kis(1,1-di­methyl­eth­yl)-26,28-di­hydroxy­calix[4]arene-25,27-mono­thia­crown-3
title_full_unstemmed 5,11,17,23-Tetra­kis(1,1-di­methyl­eth­yl)-26,28-di­hydroxy­calix[4]arene-25,27-mono­thia­crown-3
title_short 5,11,17,23-Tetra­kis(1,1-di­methyl­eth­yl)-26,28-di­hydroxy­calix[4]arene-25,27-mono­thia­crown-3
title_sort 5,11,17,23-tetra­kis(1,1-di­methyl­eth­yl)-26,28-di­hydroxy­calix[4]arene-25,27-mono­thia­crown-3
topic Organic Papers
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3647882/
https://www.ncbi.nlm.nih.gov/pubmed/23723848
http://dx.doi.org/10.1107/S1600536813008684
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