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Information card for entry 7135115
Preview
| Coordinates | 7135115.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C31.5 H26 N2 O2 S2 Se2 |
|---|---|
| Calculated formula | C28 H18 N2 O2 S2 Se2 |
| Title of publication | Tuneable Phosphorescence and Singlet Oxygen Production of Bridged Ethers via Chalcogen Variation and Photocyclisation |
| Authors of publication | Schmiedtchen, Marco; Lorberg, Rick Y.; Sailaja, Sidharth Thulaseedharan Nair; Wölper, Christoph; Galstyan, Anzhela; Voskuhl, Jens |
| Journal of publication | Chemical Communications |
| Year of publication | 2025 |
| a | 6.2952 ± 0.0003 Å |
| b | 11.3991 ± 0.0006 Å |
| c | 20.6848 ± 0.0011 Å |
| α | 104.048 ± 0.003° |
| β | 91.718 ± 0.003° |
| γ | 99.82 ± 0.003° |
| Cell volume | 1414.88 ± 0.13 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 | 0.0512 |
| Residual factor for significantly intense reflections | 0.034 |
| Weighted residual factors for significantly intense reflections | 0.0801 |
| Weighted residual factors for all reflections included in the refinement | 0.089 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.037 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 303009 (current) | 2025-10-28 | cif/ Adding structures of 7135109, 7135110, 7135111, 7135112, 7135113, 7135114, 7135115 via cif-deposit CGI script. |
7135115.cif |
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Users of the data should acknowledge the original authors of the
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