1,2,3,4,5,6,7,8,13,13,14,14-Dodeca­chloro-1,4,4a,4b,5,8,8a,12b-octa­hydro-1,4:5,8-dimethano­triphenyl­ene at 90 K

The previously reported room-temperature crystal structure [Jaud Baldy, Negrel, Poite & Chanon (1993 ▶). Z. Kristallogr. 204, 289–291] of the title compound, C(20)H(8)Cl(12), is monoclinic with Z′ = 1, whereas the 90 K structure reported herein is triclinic with Z′ = 2 and shows a 2% volume cont...

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Detalles Bibliográficos
Autores principales: Jenkins, Brandon W., Fronczek, Frank R., Watkins, Steven F.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2012
Materias:
Organic Papers
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3414984/
https://www.ncbi.nlm.nih.gov/pubmed/22904971
http://dx.doi.org/10.1107/S1600536812032540
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author Jenkins, Brandon W.
Fronczek, Frank R.
Watkins, Steven F.
author_facet Jenkins, Brandon W.
Fronczek, Frank R.
Watkins, Steven F.
author_sort Jenkins, Brandon W.
collection PubMed
description The previously reported room-temperature crystal structure [Jaud Baldy, Negrel, Poite & Chanon (1993 ▶). Z. Kristallogr. 204, 289–291] of the title compound, C(20)H(8)Cl(12), is monoclinic with Z′ = 1, whereas the 90 K structure reported herein is triclinic with Z′ = 2 and shows a 2% volume contraction. The crystallographically independent unit chosen consists of both enanti­omers (Λ and Δ) of this propeller-like mol­ecule. Both enanti­omers display quasi-twofold symmetry, with average bond-length/bond-angle deviations of 0.0018 (4) Å and 0.41 (2)° for Λ, and 0.0026 (4) Å and 0.50 (2)° for Δ.
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spelling pubmed-34149842012-08-17 1,2,3,4,5,6,7,8,13,13,14,14-Dodeca­chloro-1,4,4a,4b,5,8,8a,12b-octa­hydro-1,4:5,8-dimethano­triphenyl­ene at 90 K Jenkins, Brandon W. Fronczek, Frank R. Watkins, Steven F. Acta Crystallogr Sect E Struct Rep Online Organic Papers The previously reported room-temperature crystal structure [Jaud Baldy, Negrel, Poite & Chanon (1993 ▶). Z. Kristallogr. 204, 289–291] of the title compound, C(20)H(8)Cl(12), is monoclinic with Z′ = 1, whereas the 90 K structure reported herein is triclinic with Z′ = 2 and shows a 2% volume contraction. The crystallographically independent unit chosen consists of both enanti­omers (Λ and Δ) of this propeller-like mol­ecule. Both enanti­omers display quasi-twofold symmetry, with average bond-length/bond-angle deviations of 0.0018 (4) Å and 0.41 (2)° for Λ, and 0.0026 (4) Å and 0.50 (2)° for Δ. International Union of Crystallography 2012-07-25 /pmc/articles/PMC3414984/ /pubmed/22904971 http://dx.doi.org/10.1107/S1600536812032540 Text en © Jenkins 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
Jenkins, Brandon W.
Fronczek, Frank R.
Watkins, Steven F.
1,2,3,4,5,6,7,8,13,13,14,14-Dodeca­chloro-1,4,4a,4b,5,8,8a,12b-octa­hydro-1,4:5,8-dimethano­triphenyl­ene at 90 K
title 1,2,3,4,5,6,7,8,13,13,14,14-Dodeca­chloro-1,4,4a,4b,5,8,8a,12b-octa­hydro-1,4:5,8-dimethano­triphenyl­ene at 90 K
title_full 1,2,3,4,5,6,7,8,13,13,14,14-Dodeca­chloro-1,4,4a,4b,5,8,8a,12b-octa­hydro-1,4:5,8-dimethano­triphenyl­ene at 90 K
title_fullStr 1,2,3,4,5,6,7,8,13,13,14,14-Dodeca­chloro-1,4,4a,4b,5,8,8a,12b-octa­hydro-1,4:5,8-dimethano­triphenyl­ene at 90 K
title_full_unstemmed 1,2,3,4,5,6,7,8,13,13,14,14-Dodeca­chloro-1,4,4a,4b,5,8,8a,12b-octa­hydro-1,4:5,8-dimethano­triphenyl­ene at 90 K
title_short 1,2,3,4,5,6,7,8,13,13,14,14-Dodeca­chloro-1,4,4a,4b,5,8,8a,12b-octa­hydro-1,4:5,8-dimethano­triphenyl­ene at 90 K
title_sort 1,2,3,4,5,6,7,8,13,13,14,14-dodeca­chloro-1,4,4a,4b,5,8,8a,12b-octa­hydro-1,4:5,8-dimethano­triphenyl­ene at 90 k
topic Organic Papers
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3414984/
https://www.ncbi.nlm.nih.gov/pubmed/22904971
http://dx.doi.org/10.1107/S1600536812032540
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