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Information card for entry 4130904
Preview
| Coordinates | 4130904.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C88 H116 K O8 Si2 |
|---|---|
| Calculated formula | C88 H116 K O8 Si2 |
| Title of publication | A Biradical Balancing Act: Redox Amphoterism in a Diindenoanthracene Derivative Results from Quinoidal Acceptor and Aromatic Donor Motifs. |
| Authors of publication | Rudebusch, Gabriel E.; Espejo, Guzmán L; Zafra, José L; Peña-Alvarez, Miriam; Spisak, Sarah N.; Fukuda, Kotaro; Wei, Zheng; Nakano, Masayoshi; Petrukhina, Marina A.; Casado, Juan; Haley, Michael M. |
| Journal of publication | Journal of the American Chemical Society |
| Year of publication | 2016 |
| Journal volume | 138 |
| Journal issue | 38 |
| Pages of publication | 12648 - 12654 |
| a | 11.5995 ± 0.0003 Å |
| b | 12.1738 ± 0.0003 Å |
| c | 17.0652 ± 0.0004 Å |
| α | 78.478 ± 0.002° |
| β | 82.51 ± 0.002° |
| γ | 72.257 ± 0.001° |
| Cell volume | 2242.66 ± 0.1 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0861 |
| Residual factor for significantly intense reflections | 0.0621 |
| Weighted residual factors for significantly intense reflections | 0.1639 |
| Weighted residual factors for all reflections included in the refinement | 0.1774 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.082 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 241258 (current) | 2019-11-25 | cif/ Adding structures of 4130904 via cif-deposit CGI script. |
4130904.cif |
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Users of the data should acknowledge the original authors of the
structural data.