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Information card for entry 1573082
Preview
| Coordinates | 1573082.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C15 H11 N3 S2 |
|---|---|
| Calculated formula | C15 H11 N3 S2 |
| Title of publication | Bridge Editing of Spin-Flip Emitters gives Insight into Excited State Energies and Dynamics |
| Authors of publication | Reichenauer, Florian; Naumann, Robert; Förster, Christoph; Kitzmann, Winald Robert Robert; Reponen, Antti-Pekka M.; Feldmann, Sascha; Heinze, Katja |
| Journal of publication | Chemical Science |
| Year of publication | 2024 |
| a | 12.378 ± 0.003 Å |
| b | 9.0617 ± 0.0018 Å |
| c | 12.393 ± 0.003 Å |
| α | 90° |
| β | 99.98 ± 0.03° |
| γ | 90° |
| Cell volume | 1369 ± 0.6 Å3 |
| Cell temperature | 120 ± 2 K |
| Ambient diffraction temperature | 120 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for all reflections | 0.0409 |
| Residual factor for significantly intense reflections | 0.0348 |
| Weighted residual factors for significantly intense reflections | 0.0905 |
| Weighted residual factors for all reflections included in the refinement | 0.0948 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.055 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 295868 (current) | 2024-11-12 | cif/ Adding structures of 1573081, 1573082, 1573083 via cif-deposit CGI script. |
1573082.cif |
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Users of the data should acknowledge the original authors of the
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