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Calixarene-based molecular capsule from olefin metathesis
The reaction of tetrakis(allyloxy)calix[4]arene with the first-generation Grubbs catalyst, followed by catalytic hydrogenation, gave the novel bis-calixarene 15,20,46,51,64,69,74,79-octaoxatridecacyclo[32.28.8.8(3,28).1(13,53).1(22,44).0(9,14).0(21,26).0(38,70).0(40,45).0(52,57).0(59,63).0(7,80)...
Autores principales: | , , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2013
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3772447/ https://www.ncbi.nlm.nih.gov/pubmed/24046590 http://dx.doi.org/10.1107/S1600536813014438 |
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author | Hailu, Shimelis T. Butcher, Ray J. Hudrlik, Paul F. Hudrlik, Anne M. |
author_facet | Hailu, Shimelis T. Butcher, Ray J. Hudrlik, Paul F. Hudrlik, Anne M. |
author_sort | Hailu, Shimelis T. |
collection | PubMed |
description | The reaction of tetrakis(allyloxy)calix[4]arene with the first-generation Grubbs catalyst, followed by catalytic hydrogenation, gave the novel bis-calixarene 15,20,46,51,64,69,74,79-octaoxatridecacyclo[32.28.8.8(3,28).1(13,53).1(22,44).0(9,14).0(21,26).0(38,70).0(40,45).0(52,57).0(59,63).0(7,80).0(32,73)]octaconta-1(63),3,5,7(80),9(14),10,12,21,23,25,28(73),29,31,34,36,38(70),40,42,44,52,54,56,59,61-tetracosaene benzene monosolvate, C(72)H(72)O(8)·C(6)H(6). The structure consists of two calix[4]arene units connected by four-carbon chains at each of the four O atoms on their narrow rims, to form a cage. Each of the calix[4]arene units has a flattened cone conformation in which two of the opposite aryl groups are closer together and nearly parallel [dihedral angle between planes = 7.35 (16)°], and the other two aryl groups are splayed outward [dihedral angle between planes = 72.20 (8)°]. While the cavity contains no solvent or other guest molecule, there is benzene solvent molecule in the lattice. Two of the alkyl linking arms were disordered over two conformations with occupancies of 0.582 (3)/0.418 (3) and 0.33 (4)/0.467 (4). They were constrained to have similar metrical and thermal parameters. |
format | Online Article Text |
id | pubmed-3772447 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2013 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
spelling | pubmed-37724472013-09-17 Calixarene-based molecular capsule from olefin metathesis Hailu, Shimelis T. Butcher, Ray J. Hudrlik, Paul F. Hudrlik, Anne M. Acta Crystallogr Sect E Struct Rep Online Organic Papers The reaction of tetrakis(allyloxy)calix[4]arene with the first-generation Grubbs catalyst, followed by catalytic hydrogenation, gave the novel bis-calixarene 15,20,46,51,64,69,74,79-octaoxatridecacyclo[32.28.8.8(3,28).1(13,53).1(22,44).0(9,14).0(21,26).0(38,70).0(40,45).0(52,57).0(59,63).0(7,80).0(32,73)]octaconta-1(63),3,5,7(80),9(14),10,12,21,23,25,28(73),29,31,34,36,38(70),40,42,44,52,54,56,59,61-tetracosaene benzene monosolvate, C(72)H(72)O(8)·C(6)H(6). The structure consists of two calix[4]arene units connected by four-carbon chains at each of the four O atoms on their narrow rims, to form a cage. Each of the calix[4]arene units has a flattened cone conformation in which two of the opposite aryl groups are closer together and nearly parallel [dihedral angle between planes = 7.35 (16)°], and the other two aryl groups are splayed outward [dihedral angle between planes = 72.20 (8)°]. While the cavity contains no solvent or other guest molecule, there is benzene solvent molecule in the lattice. Two of the alkyl linking arms were disordered over two conformations with occupancies of 0.582 (3)/0.418 (3) and 0.33 (4)/0.467 (4). They were constrained to have similar metrical and thermal parameters. International Union of Crystallography 2013-06-08 /pmc/articles/PMC3772447/ /pubmed/24046590 http://dx.doi.org/10.1107/S1600536813014438 Text en © Hailu et al. 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 Hailu, Shimelis T. Butcher, Ray J. Hudrlik, Paul F. Hudrlik, Anne M. Calixarene-based molecular capsule from olefin metathesis |
title | Calixarene-based molecular capsule from olefin metathesis |
title_full | Calixarene-based molecular capsule from olefin metathesis |
title_fullStr | Calixarene-based molecular capsule from olefin metathesis |
title_full_unstemmed | Calixarene-based molecular capsule from olefin metathesis |
title_short | Calixarene-based molecular capsule from olefin metathesis |
title_sort | calixarene-based molecular capsule from olefin metathesis |
topic | Organic Papers |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3772447/ https://www.ncbi.nlm.nih.gov/pubmed/24046590 http://dx.doi.org/10.1107/S1600536813014438 |
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