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Four-layered [3.3]metacyclophane with ethenetetracarbonitrile
The title complex C(42)H(48)·2C(6)N(4) {systematic name: heptacyclo[21.13.1.1(5,19).1(6,18).1(10,14).1(24,36).1(28,32)]dotetraconta-1(37),5(40),6(41),10(42),11,13,18,23,28,30,32(39),36(38)-dodecaene–ethenetetracarbonitrile (1/2)}, consisting of four-layered [3.3]metacyclophane (MCP) with tw...
Autores principales: | , , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
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International Union of Crystallography
2014
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4011271/ https://www.ncbi.nlm.nih.gov/pubmed/24860414 http://dx.doi.org/10.1107/S1600536814009362 |
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author | Shibahara, Masahiko Watanabe, Motonori Goto, Kenta Shinmyozu, Teruo |
author_facet | Shibahara, Masahiko Watanabe, Motonori Goto, Kenta Shinmyozu, Teruo |
author_sort | Shibahara, Masahiko |
collection | PubMed |
description | The title complex C(42)H(48)·2C(6)N(4) {systematic name: heptacyclo[21.13.1.1(5,19).1(6,18).1(10,14).1(24,36).1(28,32)]dotetraconta-1(37),5(40),6(41),10(42),11,13,18,23,28,30,32(39),36(38)-dodecaene–ethenetetracarbonitrile (1/2)}, consisting of four-layered [3.3]metacyclophane (MCP) with two tetracyanoethylene (TCNE) molecules, was grown from a mixture of MCP and TCNE in chloroform solution. The four-layered [3.3]MCP has an S-shaped structure in which three [3.3]MCP moieties take syn-(chair-boat), anti-(chair-boat) and syn-(chair-boat) conformations. The two outer [3.3]MCP moieties with syn geometry contain benzene rings with a tilt of 32.95 (7)°. The central [3.3]MCP moiety has an anti geometry, in which the two benzene rings are oriented parallel to each other at a transannular distance of 2.31 Å. The TCNE molecules are stacked on either side of the outer [3.3]MCP units at a distance of 3.19 Å on one side and 3.24 Å on the other, and showed 0.80:0.20 and 0.44:0.56 disorder, respectively. |
format | Online Article Text |
id | pubmed-4011271 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2014 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
spelling | pubmed-40112712014-05-23 Four-layered [3.3]metacyclophane with ethenetetracarbonitrile Shibahara, Masahiko Watanabe, Motonori Goto, Kenta Shinmyozu, Teruo Acta Crystallogr Sect E Struct Rep Online Organic Papers The title complex C(42)H(48)·2C(6)N(4) {systematic name: heptacyclo[21.13.1.1(5,19).1(6,18).1(10,14).1(24,36).1(28,32)]dotetraconta-1(37),5(40),6(41),10(42),11,13,18,23,28,30,32(39),36(38)-dodecaene–ethenetetracarbonitrile (1/2)}, consisting of four-layered [3.3]metacyclophane (MCP) with two tetracyanoethylene (TCNE) molecules, was grown from a mixture of MCP and TCNE in chloroform solution. The four-layered [3.3]MCP has an S-shaped structure in which three [3.3]MCP moieties take syn-(chair-boat), anti-(chair-boat) and syn-(chair-boat) conformations. The two outer [3.3]MCP moieties with syn geometry contain benzene rings with a tilt of 32.95 (7)°. The central [3.3]MCP moiety has an anti geometry, in which the two benzene rings are oriented parallel to each other at a transannular distance of 2.31 Å. The TCNE molecules are stacked on either side of the outer [3.3]MCP units at a distance of 3.19 Å on one side and 3.24 Å on the other, and showed 0.80:0.20 and 0.44:0.56 disorder, respectively. International Union of Crystallography 2014-04-30 /pmc/articles/PMC4011271/ /pubmed/24860414 http://dx.doi.org/10.1107/S1600536814009362 Text en © Shibahara et al. 2014 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 Shibahara, Masahiko Watanabe, Motonori Goto, Kenta Shinmyozu, Teruo Four-layered [3.3]metacyclophane with ethenetetracarbonitrile |
title | Four-layered [3.3]metacyclophane with ethenetetracarbonitrile |
title_full | Four-layered [3.3]metacyclophane with ethenetetracarbonitrile |
title_fullStr | Four-layered [3.3]metacyclophane with ethenetetracarbonitrile |
title_full_unstemmed | Four-layered [3.3]metacyclophane with ethenetetracarbonitrile |
title_short | Four-layered [3.3]metacyclophane with ethenetetracarbonitrile |
title_sort | four-layered [3.3]metacyclophane with ethenetetracarbonitrile |
topic | Organic Papers |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4011271/ https://www.ncbi.nlm.nih.gov/pubmed/24860414 http://dx.doi.org/10.1107/S1600536814009362 |
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