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Information card for entry 7104151
Preview
Coordinates | 7104151.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C87 H46 O12 |
---|---|
Calculated formula | C87 H46 O12 |
SMILES | C123C4C(C56C7(c8c9C%10(C26O%10)c2c6C(c%10c%11C%12(C1=C5C1(c5c%13c%14c%15c(c%11c%11c%16c%10c6c6c%10c2c9c2c9c8c8c7c1c%13c1c8c7c9c8c9c%13c(c%10c28)c6c%16c2c%13c6c9c7c1c%14c6c%15c%112)c%125)OOC(C)(C)C)OOC(C)(C)C)(O3)O)OOC(C)(C)C)C(=O)C=CC4=O.c1(ccccc1)C.C(C)O |
Title of publication | Switched role of fullerene in the Diels-Alder reaction: facile addition of dienophiles to the conjugated fullerene diene moiety. |
Authors of publication | Yao, Jiayao; Xiao, Zuo; Zhang, Jianxin; Yang, Xiaobing; Gan, Liangbing; Zhang, Wen-Xiong |
Journal of publication | Chemical communications (Cambridge, England) |
Year of publication | 2009 |
Journal volume | 34 |
Journal issue | 4 |
Pages of publication | 401 - 403 |
a | 15.358 ± 0.003 Å |
b | 13.053 ± 0.003 Å |
c | 28.534 ± 0.006 Å |
α | 90° |
β | 98.99 ± 0.03° |
γ | 90° |
Cell volume | 5650 ± 2 Å3 |
Cell temperature | 123 ± 2 K |
Ambient diffraction temperature | 123 ± 2 K |
Number of distinct elements | 3 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/c 1 |
Hall space group symbol | -P 2ybc |
Residual factor for all reflections | 0.1707 |
Residual factor for significantly intense reflections | 0.0637 |
Weighted residual factors for significantly intense reflections | 0.1136 |
Weighted residual factors for all reflections included in the refinement | 0.1291 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.992 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/7104151.html
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Users of the data should acknowledge the original authors of the
structural data.