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Information card for entry 7112979
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Coordinates | 7112979.cif |
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Original paper (by DOI) | HTML |
Formula | C81 H15 N5 S6 |
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Calculated formula | C81 H15 N5 S6 |
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 | 13.0651 ± 0.0003 Å |
b | 13.571 ± 0.0003 Å |
c | 15.9971 ± 0.0005 Å |
α | 74.0161 ± 0.0011° |
β | 77.3303 ± 0.0012° |
γ | 75.1841 ± 0.0012° |
Cell volume | 2602.02 ± 0.12 Å3 |
Cell temperature | 123 K |
Ambient diffraction temperature | 123 K |
Number of distinct elements | 4 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.1008 |
Residual factor for significantly intense reflections | 0.0748 |
Weighted residual factors for significantly intense reflections | 0.2109 |
Weighted residual factors for all reflections included in the refinement | 0.2294 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.509 |
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/7112979.html
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structural data.