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Information card for entry 7112978
Preview
Coordinates | 7112978.cif |
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Original paper (by DOI) | HTML |
Formula | C87 H22.5 Cl1.5 N5 |
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Calculated formula | C87 H20 Cl1.5 N5 |
Title of publication | Unprecedented thermal rearrangement of push-pull-chromophore-[60]fullerene conjugates: formation of chiral 1,2,9,12-tetrakis-adducts. |
Authors of publication | Yamada, Michio; Schweizer, W. Bernd; Schoenebeck, Franziska; Diederich, François |
Journal of publication | Chemical communications (Cambridge, England) |
Year of publication | 2010 |
Journal volume | 46 |
Journal issue | 29 |
Pages of publication | 5334 - 5336 |
a | 15.9413 ± 0.0003 Å |
b | 18.6916 ± 0.0003 Å |
c | 17.0131 ± 0.0003 Å |
α | 90° |
β | 98.6182 ± 0.0006° |
γ | 90° |
Cell volume | 5012.13 ± 0.15 Å3 |
Cell temperature | 123 K |
Ambient diffraction temperature | 123 K |
Number of distinct elements | 4 |
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 | 0.0864 |
Residual factor for significantly intense reflections | 0.0664 |
Weighted residual factors for significantly intense reflections | 0.1874 |
Weighted residual factors for all reflections included in the refinement | 0.2032 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.441 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/7112978.html
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Users of the data should acknowledge the original authors of the
structural data.