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Information card for entry 1550578
Preview
| Coordinates | 1550578.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Chemical name | 5,10-dimesityldiindeno[1,2-a:2',1'-i]phenanthrene |
|---|---|
| Formula | C52 H50 |
| Calculated formula | C52 H50 |
| Title of publication | 5,10-Dimesityldiindeno[1,2-a:2',1'-i]phenanthrene: A Stable Biradicaloid Derived from Chichibabin’s Hydrocarbon |
| Authors of publication | Majewski, Marcin Aleksander; Chmielewski, Piotr Jan; Chien, Alan; Hong, Yongseok; Lis, Tadeusz; Witwicki, Maciej; Kim, Dongho; Zimmerman, Paul; Stępień, Marcin |
| Journal of publication | Chemical Science |
| Year of publication | 2019 |
| a | 16.156 ± 0.004 Å |
| b | 11.811 ± 0.003 Å |
| c | 20.079 ± 0.005 Å |
| α | 90° |
| β | 93.63 ± 0.03° |
| γ | 90° |
| Cell volume | 3823.8 ± 1.7 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 2 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.171 |
| Residual factor for significantly intense reflections | 0.0825 |
| Weighted residual factors for significantly intense reflections | 0.1367 |
| Weighted residual factors for all reflections included in the refinement | 0.1761 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.028 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 213535 (current) | 2019-02-08 | cif/ Adding structures of 1550578 via cif-deposit CGI script. |
1550578.cif |
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