2,9,16,23-Tetra­kis(1-methyl­eth­yl)-5,6,11,12,13,14,19,20,25,26,27,28-dodecadehydro­tetra­benzo[a,e,k,o]cyclo­eicosene

The title compound, C(48)H(40), is a tetra­isopropyl-substituted polyannulenoenyne. The unsubstituted polyannulenoenyne, C(36)H(16) (CSD: RICVEE; CAS: 186494-87-1), has quasi-D (2) (222) symmetry, as determined by least-squares fit (excluding H atoms) to a model optimized in D (2) symmetry by mol­ec...

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Detalles Bibliográficos
Autores principales: Perera, Theshini, Fronczek, Frank R., Watkins, Steven F.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2011
Materias:
Organic Papers
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3239117/
https://www.ncbi.nlm.nih.gov/pubmed/22199965
http://dx.doi.org/10.1107/S1600536811048604
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author Perera, Theshini
Fronczek, Frank R.
Watkins, Steven F.
author_facet Perera, Theshini
Fronczek, Frank R.
Watkins, Steven F.
author_sort Perera, Theshini
collection PubMed
description The title compound, C(48)H(40), is a tetra­isopropyl-substituted polyannulenoenyne. The unsubstituted polyannulenoenyne, C(36)H(16) (CSD: RICVEE; CAS: 186494-87-1), has quasi-D (2) (222) symmetry, as determined by least-squares fit (excluding H atoms) to a model optimized in D (2) symmetry by mol­ecular mechanics (r.m.s. deviation = 0.239 Å). The least-squares fits of 36 common C atoms of the title compound (at 90 K) to the parent (at 295 K) and to the optimized model show r.m.s. deviations of 0.419 and 0.426 Å, respectively.
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spelling pubmed-32391172011-12-23 2,9,16,23-Tetra­kis(1-methyl­eth­yl)-5,6,11,12,13,14,19,20,25,26,27,28-dodecadehydro­tetra­benzo[a,e,k,o]cyclo­eicosene Perera, Theshini Fronczek, Frank R. Watkins, Steven F. Acta Crystallogr Sect E Struct Rep Online Organic Papers The title compound, C(48)H(40), is a tetra­isopropyl-substituted polyannulenoenyne. The unsubstituted polyannulenoenyne, C(36)H(16) (CSD: RICVEE; CAS: 186494-87-1), has quasi-D (2) (222) symmetry, as determined by least-squares fit (excluding H atoms) to a model optimized in D (2) symmetry by mol­ecular mechanics (r.m.s. deviation = 0.239 Å). The least-squares fits of 36 common C atoms of the title compound (at 90 K) to the parent (at 295 K) and to the optimized model show r.m.s. deviations of 0.419 and 0.426 Å, respectively. International Union of Crystallography 2011-11-30 /pmc/articles/PMC3239117/ /pubmed/22199965 http://dx.doi.org/10.1107/S1600536811048604 Text en © Perera et al. 2011 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
Perera, Theshini
Fronczek, Frank R.
Watkins, Steven F.
2,9,16,23-Tetra­kis(1-methyl­eth­yl)-5,6,11,12,13,14,19,20,25,26,27,28-dodecadehydro­tetra­benzo[a,e,k,o]cyclo­eicosene
title 2,9,16,23-Tetra­kis(1-methyl­eth­yl)-5,6,11,12,13,14,19,20,25,26,27,28-dodecadehydro­tetra­benzo[a,e,k,o]cyclo­eicosene
title_full 2,9,16,23-Tetra­kis(1-methyl­eth­yl)-5,6,11,12,13,14,19,20,25,26,27,28-dodecadehydro­tetra­benzo[a,e,k,o]cyclo­eicosene
title_fullStr 2,9,16,23-Tetra­kis(1-methyl­eth­yl)-5,6,11,12,13,14,19,20,25,26,27,28-dodecadehydro­tetra­benzo[a,e,k,o]cyclo­eicosene
title_full_unstemmed 2,9,16,23-Tetra­kis(1-methyl­eth­yl)-5,6,11,12,13,14,19,20,25,26,27,28-dodecadehydro­tetra­benzo[a,e,k,o]cyclo­eicosene
title_short 2,9,16,23-Tetra­kis(1-methyl­eth­yl)-5,6,11,12,13,14,19,20,25,26,27,28-dodecadehydro­tetra­benzo[a,e,k,o]cyclo­eicosene
title_sort 2,9,16,23-tetra­kis(1-methyl­eth­yl)-5,6,11,12,13,14,19,20,25,26,27,28-dodecadehydro­tetra­benzo[a,e,k,o]cyclo­eicosene
topic Organic Papers
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3239117/
https://www.ncbi.nlm.nih.gov/pubmed/22199965
http://dx.doi.org/10.1107/S1600536811048604
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