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Information card for entry 1577303
Preview
| Coordinates | 1577303.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C271 H276 N4 O8 |
|---|---|
| Calculated formula | C271 H276 N4 O8 |
| 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 | 11.982 ± 0.004 Å |
| b | 28.663 ± 0.004 Å |
| c | 30.843 ± 0.004 Å |
| α | 90° |
| β | 90.52 ± 0.06° |
| γ | 90° |
| Cell volume | 10592 ± 4 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 | 0.1805 |
| Residual factor for significantly intense reflections | 0.1245 |
| Weighted residual factors for significantly intense reflections | 0.3984 |
| Weighted residual factors for all reflections included in the refinement | 0.4539 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.052 |
| Diffraction radiation wavelength | 0.61989 Å |
| Diffraction radiation type | synchrotron |
| Has coordinates | Yes |
| Has disorder | Yes |
| 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. |
1577303.cif |
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Users of the data should acknowledge the original authors of the
structural data.