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31-Benzyloxy-5,11,17,23,29-penta-tert-butylcalix[5]arene-32,33,34,35-tetraol
The title compound, C(62)H(76)O(5), known to be one of the most versatile synthetic precursors/intermediates of calix[5]arene derivatives, adopts an approximate C (s)-symmetric cone-in conformation. The aryloxybenzyl ring is tilted in such a way that the p-tert-butyl group fills the macrocycle cav...
Autores principales: | , , , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2012
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3589006/ https://www.ncbi.nlm.nih.gov/pubmed/23476242 http://dx.doi.org/10.1107/S1600536812047435 |
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author | Gargiulli, Claudia Gattuso, Giuseppe Notti, Anna Nicoló, Francesco Pappalardo, Andrea |
author_facet | Gargiulli, Claudia Gattuso, Giuseppe Notti, Anna Nicoló, Francesco Pappalardo, Andrea |
author_sort | Gargiulli, Claudia |
collection | PubMed |
description | The title compound, C(62)H(76)O(5), known to be one of the most versatile synthetic precursors/intermediates of calix[5]arene derivatives, adopts an approximate C (s)-symmetric cone-in conformation. The aryloxybenzyl ring is tilted in such a way that the p-tert-butyl group fills the macrocycle cavity, while the benzyl group moves away from the cavity axis. In the crystal, this conformational arrangement is secured by intra- and intermolecular O—H⋯O hydrogen bonds forming inversion dimers. Four tert-butyl groups are disordered over two orientations, with occupancy ratios of 0.745 (6):0.255 (6), 0.837 (5):0.163 (5), 0.850 (5):0.150 (5) and 0.845 (8):0.155 (8). |
format | Online Article Text |
id | pubmed-3589006 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2012 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
spelling | pubmed-35890062013-03-08 31-Benzyloxy-5,11,17,23,29-penta-tert-butylcalix[5]arene-32,33,34,35-tetraol Gargiulli, Claudia Gattuso, Giuseppe Notti, Anna Nicoló, Francesco Pappalardo, Andrea Acta Crystallogr Sect E Struct Rep Online Organic Papers The title compound, C(62)H(76)O(5), known to be one of the most versatile synthetic precursors/intermediates of calix[5]arene derivatives, adopts an approximate C (s)-symmetric cone-in conformation. The aryloxybenzyl ring is tilted in such a way that the p-tert-butyl group fills the macrocycle cavity, while the benzyl group moves away from the cavity axis. In the crystal, this conformational arrangement is secured by intra- and intermolecular O—H⋯O hydrogen bonds forming inversion dimers. Four tert-butyl groups are disordered over two orientations, with occupancy ratios of 0.745 (6):0.255 (6), 0.837 (5):0.163 (5), 0.850 (5):0.150 (5) and 0.845 (8):0.155 (8). International Union of Crystallography 2012-11-24 /pmc/articles/PMC3589006/ /pubmed/23476242 http://dx.doi.org/10.1107/S1600536812047435 Text en © Gargiulli et al. 2012 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 Gargiulli, Claudia Gattuso, Giuseppe Notti, Anna Nicoló, Francesco Pappalardo, Andrea 31-Benzyloxy-5,11,17,23,29-penta-tert-butylcalix[5]arene-32,33,34,35-tetraol |
title | 31-Benzyloxy-5,11,17,23,29-penta-tert-butylcalix[5]arene-32,33,34,35-tetraol |
title_full | 31-Benzyloxy-5,11,17,23,29-penta-tert-butylcalix[5]arene-32,33,34,35-tetraol |
title_fullStr | 31-Benzyloxy-5,11,17,23,29-penta-tert-butylcalix[5]arene-32,33,34,35-tetraol |
title_full_unstemmed | 31-Benzyloxy-5,11,17,23,29-penta-tert-butylcalix[5]arene-32,33,34,35-tetraol |
title_short | 31-Benzyloxy-5,11,17,23,29-penta-tert-butylcalix[5]arene-32,33,34,35-tetraol |
title_sort | 31-benzyloxy-5,11,17,23,29-penta-tert-butylcalix[5]arene-32,33,34,35-tetraol |
topic | Organic Papers |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3589006/ https://www.ncbi.nlm.nih.gov/pubmed/23476242 http://dx.doi.org/10.1107/S1600536812047435 |
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