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Information card for entry 1577302
Preview
| Coordinates | 1577302.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C150 H136 Cl6 I8 N6 O4 |
|---|---|
| Calculated formula | C150 H136 Cl6 I8 N6 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 | 11.9797 ± 0.0014 Å |
| b | 15.8387 ± 0.0017 Å |
| c | 19.038 ± 0.002 Å |
| α | 77.575 ± 0.006° |
| β | 78.866 ± 0.01° |
| γ | 89.072 ± 0.004° |
| Cell volume | 3460.1 ± 0.7 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0329 |
| Residual factor for significantly intense reflections | 0.0294 |
| Weighted residual factors for significantly intense reflections | 0.0749 |
| Weighted residual factors for all reflections included in the refinement | 0.0776 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.022 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| 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. |
1577302.cif |
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Users of the data should acknowledge the original authors of the
structural data.