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Information card for entry 1573703
Preview
| Coordinates | 1573703.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C72 H54 F3 N5 O4 S2 |
|---|---|
| Calculated formula | C72 H54 F3 N5 O4 S2 |
| Title of publication | Ruthenium-catalyzed C–H bond activation and annulation of phenothiazine-3-carbaldehydes: facile access to dual-emission materials |
| Authors of publication | Liu, Junxiang; Wang, Kangmin; Wan, Liqiu; Yang, Xianhui; Li, Bijin |
| Journal of publication | Chemical Science |
| Year of publication | 2025 |
| a | 11.823 ± 0.0003 Å |
| b | 13.6657 ± 0.0003 Å |
| c | 23.0648 ± 0.0006 Å |
| α | 100.582 ± 0.002° |
| β | 94.663 ± 0.002° |
| γ | 108.17 ± 0.002° |
| Cell volume | 3442.01 ± 0.16 Å3 |
| Cell temperature | 200 ± 0.1 K |
| Ambient diffraction temperature | 200 ± 0.1 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 | 0.3465 |
| Residual factor for significantly intense reflections | 0.3244 |
| Weighted residual factors for significantly intense reflections | 0.6657 |
| Weighted residual factors for all reflections included in the refinement | 0.6974 |
| Goodness-of-fit parameter for all reflections included in the refinement | 3.328 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 297360 (current) | 2025-01-17 | cif/ Adding structures of 1573703 via cif-deposit CGI script. |
1573703.cif |
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Users of the data should acknowledge the original authors of the
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