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1,3,7,10,14,17,21,28,31,42,52,55-Dodecakis(trifluoromethyl)- 1,3,7,10,14,17,21,28,31,42,52,55-dodecahydro(C(60)–I(h))[5,6]fullerene
The title compound, C(72)F(36), is one of four isomers of C(60)(CF(3))(12) for which crystal structures have been obtained. The fullerene molecule has an idealized I(h) C(60) core with the 12 CF(3) groups arranged in an asymmetric fashion on two ribbons of edge-sharing C(6)(CF(3))(2) hexagons, a p...
| Autores principales: | , , , , |
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| Formato: | Texto |
| Lenguaje: | English |
| Publicado: |
International Union of Crystallography
2007
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| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2915227/ https://www.ncbi.nlm.nih.gov/pubmed/21200724 http://dx.doi.org/10.1107/S1600536807063647 |
| _version_ | 1782184890539704320 |
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| author | Shustova, Natalia B. Anderson, Oren P. Boltalina, Olga V. Strauss, Steven H. Kareev, Ivan E. |
| author_facet | Shustova, Natalia B. Anderson, Oren P. Boltalina, Olga V. Strauss, Steven H. Kareev, Ivan E. |
| author_sort | Shustova, Natalia B. |
| collection | PubMed |
| description | The title compound, C(72)F(36), is one of four isomers of C(60)(CF(3))(12) for which crystal structures have been obtained. The fullerene molecule has an idealized I(h) C(60) core with the 12 CF(3) groups arranged in an asymmetric fashion on two ribbons of edge-sharing C(6)(CF(3))(2) hexagons, a para–meta–para–para–para–meta–para ribbon and a para–meta–para ribbon, giving an overall pmp (3) mp,pmp structure. There are no cage Csp (3)—Csp (3) bonds. The F atoms of two CF(3) groups are disordered over two positions; the site occupancy factors are 0.85/0.15 and 0.73/0.27. There are intramolecular F⋯F contacts between pairs of CF(3) groups on the same hexagon that range from 2.521 (3) to 2.738 (4) Å. |
| format | Text |
| id | pubmed-2915227 |
| institution | National Center for Biotechnology Information |
| language | English |
| publishDate | 2007 |
| publisher | International Union of Crystallography |
| record_format | MEDLINE/PubMed |
| spelling | pubmed-29152272010-12-30 1,3,7,10,14,17,21,28,31,42,52,55-Dodecakis(trifluoromethyl)- 1,3,7,10,14,17,21,28,31,42,52,55-dodecahydro(C(60)–I(h))[5,6]fullerene Shustova, Natalia B. Anderson, Oren P. Boltalina, Olga V. Strauss, Steven H. Kareev, Ivan E. Acta Crystallogr Sect E Struct Rep Online Organic Papers The title compound, C(72)F(36), is one of four isomers of C(60)(CF(3))(12) for which crystal structures have been obtained. The fullerene molecule has an idealized I(h) C(60) core with the 12 CF(3) groups arranged in an asymmetric fashion on two ribbons of edge-sharing C(6)(CF(3))(2) hexagons, a para–meta–para–para–para–meta–para ribbon and a para–meta–para ribbon, giving an overall pmp (3) mp,pmp structure. There are no cage Csp (3)—Csp (3) bonds. The F atoms of two CF(3) groups are disordered over two positions; the site occupancy factors are 0.85/0.15 and 0.73/0.27. There are intramolecular F⋯F contacts between pairs of CF(3) groups on the same hexagon that range from 2.521 (3) to 2.738 (4) Å. International Union of Crystallography 2007-12-06 /pmc/articles/PMC2915227/ /pubmed/21200724 http://dx.doi.org/10.1107/S1600536807063647 Text en © International Union of Crystallography 2008 http://journals.iucr.org/services/termsofuse.html This is an open-access article distributed under the terms described at http://journals.iucr.org/services/termsofuse.html. |
| spellingShingle | Organic Papers Shustova, Natalia B. Anderson, Oren P. Boltalina, Olga V. Strauss, Steven H. Kareev, Ivan E. 1,3,7,10,14,17,21,28,31,42,52,55-Dodecakis(trifluoromethyl)- 1,3,7,10,14,17,21,28,31,42,52,55-dodecahydro(C(60)–I(h))[5,6]fullerene |
| title | 1,3,7,10,14,17,21,28,31,42,52,55-Dodecakis(trifluoromethyl)- 1,3,7,10,14,17,21,28,31,42,52,55-dodecahydro(C(60)–I(h))[5,6]fullerene |
| title_full | 1,3,7,10,14,17,21,28,31,42,52,55-Dodecakis(trifluoromethyl)- 1,3,7,10,14,17,21,28,31,42,52,55-dodecahydro(C(60)–I(h))[5,6]fullerene |
| title_fullStr | 1,3,7,10,14,17,21,28,31,42,52,55-Dodecakis(trifluoromethyl)- 1,3,7,10,14,17,21,28,31,42,52,55-dodecahydro(C(60)–I(h))[5,6]fullerene |
| title_full_unstemmed | 1,3,7,10,14,17,21,28,31,42,52,55-Dodecakis(trifluoromethyl)- 1,3,7,10,14,17,21,28,31,42,52,55-dodecahydro(C(60)–I(h))[5,6]fullerene |
| title_short | 1,3,7,10,14,17,21,28,31,42,52,55-Dodecakis(trifluoromethyl)- 1,3,7,10,14,17,21,28,31,42,52,55-dodecahydro(C(60)–I(h))[5,6]fullerene |
| title_sort | 1,3,7,10,14,17,21,28,31,42,52,55-dodecakis(trifluoromethyl)- 1,3,7,10,14,17,21,28,31,42,52,55-dodecahydro(c(60)–i(h))[5,6]fullerene |
| topic | Organic Papers |
| url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2915227/ https://www.ncbi.nlm.nih.gov/pubmed/21200724 http://dx.doi.org/10.1107/S1600536807063647 |
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