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Information card for entry 1577300
Preview
| Coordinates | 1577300.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C140 H130 N2 O4 |
|---|---|
| Calculated formula | C140 H130 N2 O4 |
| Title of publication | Colour by Design: Tuning the Solid-State Emission of Coronene Bisimide by Tailored Matrices |
| Authors of publication | Soldner, Simon; Öçal, Ömer E; Shoyama, Kazutaka; Horneber, Dominik; Düreth, Johannes; Höfling, Sven; Klembt, Sebastian; Stolte, Matthias; Würthner, Frank |
| Journal of publication | Chemical Science |
| Year of publication | 2026 |
| a | 15.447 ± 0.013 Å |
| b | 22.601 ± 0.005 Å |
| c | 15.846 ± 0.005 Å |
| α | 90° |
| β | 108.39 ± 0.009° |
| γ | 90° |
| Cell volume | 5250 ± 5 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 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 | 0.1882 |
| Residual factor for significantly intense reflections | 0.1298 |
| Weighted residual factors for significantly intense reflections | 0.3743 |
| Weighted residual factors for all reflections included in the refinement | 0.4422 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.015 |
| Diffraction radiation wavelength | 0.61989 Å |
| Diffraction radiation type | synchrotron |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
Version history
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Users of the data should acknowledge the original authors of the
structural data.