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Information card for entry 1577299
Preview
| Coordinates | 1577299.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C100 H106 N2 O4 |
|---|---|
| Calculated formula | C100 H106 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 | 12.751 ± 0.011 Å |
| b | 20.811 ± 0.017 Å |
| c | 31.27 ± 0.02 Å |
| α | 79.76 ± 0.05° |
| β | 83.11 ± 0.02° |
| γ | 79.64 ± 0.02° |
| Cell volume | 7999 ± 11 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 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 | 0.3491 |
| Residual factor for significantly intense reflections | 0.2166 |
| Weighted residual factors for significantly intense reflections | 0.5555 |
| Weighted residual factors for all reflections included in the refinement | 0.6259 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.382 |
| Diffraction radiation wavelength | 0.61989 Å |
| Diffraction radiation type | synchrotron |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 306114 (current) | 2026-05-29 | cif/ Adding structures of 1577299, 1577300, 1577301, 1577302, 1577303 via cif-deposit CGI script. |
1577299.cif |
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Users of the data should acknowledge the original authors of the
structural data.