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(C60–Ih)[5,6]fullerene
The title compound, C72F36, is one of four isomers of C60(CF3)12 for which crystal structures have been obtained. The fullerene molecule has an idealized Ih C60 core with the 12 CF3 groups arranged in an asymmetric fashion on two ribbons of edge-sharing C6(CF3)2 hexagons, a para–meta&#...
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International Union of Crystallography
2008-01-01
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| Series: | Acta Crystallographica Section E |
| Online Access: | http://scripts.iucr.org/cgi-bin/paper?S1600536807063647 |
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doaj-d92f11137b714862a3e37bc5ecd406ef2020-11-25T01:14:21ZengInternational Union of CrystallographyActa Crystallographica Section E1600-53682008-01-01641o159o15910.1107/S16005368070636471,3,7,10,14,17,21,28,31,42,52,55-Dodecakis(trifluoromethyl)- 1,3,7,10,14,17,21,28,31,42,52,55-dodecahydro(C60–Ih)[5,6]fullereneOren P. AndersonOlga V. BoltalinaSteven H. StraussIvan E. KareevNatalia B. ShustovaThe title compound, C72F36, is one of four isomers of C60(CF3)12 for which crystal structures have been obtained. The fullerene molecule has an idealized Ih C60 core with the 12 CF3 groups arranged in an asymmetric fashion on two ribbons of edge-sharing C6(CF3)2 hexagons, a para–meta–para–para–para–meta–para ribbon and a para–meta–para ribbon, giving an overall pmp3mp,pmp structure. There are no cage Csp3—Csp3 bonds. The F atoms of two CF3 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 CF3 groups on the same hexagon that range from 2.521 (3) to 2.738 (4) Å.http://scripts.iucr.org/cgi-bin/paper?S1600536807063647 |
| collection |
DOAJ |
| language |
English |
| format |
Article |
| sources |
DOAJ |
| author |
Oren P. Anderson Olga V. Boltalina Steven H. Strauss Ivan E. Kareev Natalia B. Shustova |
| spellingShingle |
Oren P. Anderson Olga V. Boltalina Steven H. Strauss Ivan E. Kareev Natalia B. Shustova 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(C60–Ih)[5,6]fullerene Acta Crystallographica Section E |
| author_facet |
Oren P. Anderson Olga V. Boltalina Steven H. Strauss Ivan E. Kareev Natalia B. Shustova |
| author_sort |
Oren P. Anderson |
| 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(C60–Ih)[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(C60–Ih)[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(C60–Ih)[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(C60–Ih)[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(C60–Ih)[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(c60–ih)[5,6]fullerene |
| publisher |
International Union of Crystallography |
| series |
Acta Crystallographica Section E |
| issn |
1600-5368 |
| publishDate |
2008-01-01 |
| description |
The title compound, C72F36, is one of four isomers of C60(CF3)12 for which crystal structures have been obtained. The fullerene molecule has an idealized Ih C60 core with the 12 CF3 groups arranged in an asymmetric fashion on two ribbons of edge-sharing C6(CF3)2 hexagons, a para–meta–para–para–para–meta–para ribbon and a para–meta–para ribbon, giving an overall pmp3mp,pmp structure. There are no cage Csp3—Csp3 bonds. The F atoms of two CF3 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 CF3 groups on the same hexagon that range from 2.521 (3) to 2.738 (4) Å. |
| url |
http://scripts.iucr.org/cgi-bin/paper?S1600536807063647 |
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