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Information card for entry 1577301
Preview
| Coordinates | 1577301.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C103.19 H106 N2 O7.19 |
|---|---|
| Calculated formula | C103.191 H106 N2 O7.191 |
| 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 | 6.824 ± 0.004 Å |
| b | 17.592 ± 0.006 Å |
| c | 35.792 ± 0.003 Å |
| α | 78.6 ± 0.012° |
| β | 89.465 ± 0.019° |
| γ | 88.533 ± 0.018° |
| Cell volume | 4211 ± 3 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 | 0.3342 |
| Residual factor for significantly intense reflections | 0.1454 |
| Weighted residual factors for significantly intense reflections | 0.382 |
| Weighted residual factors for all reflections included in the refinement | 0.4914 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.066 |
| Diffraction radiation wavelength | 0.61991 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. |
1577301.cif |
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Users of the data should acknowledge the original authors of the
structural data.