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Information card for entry 7160389
Preview
| Coordinates | 7160389.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C52 H38 N6 O2 |
|---|---|
| Calculated formula | C52 H38 N6 O2 |
| Title of publication | Synthesis of colour-tunable phosphorescence materials based on 3-ketoindazole derivatives |
| Authors of publication | Moriyama, Tetsuya; Kobayashi, Ryota; Chiba, Takayuki; Okada, Shuji; Yamakado, Ryohei |
| Journal of publication | Organic & Biomolecular Chemistry |
| Year of publication | 2025 |
| a | 8.0437 ± 0.0002 Å |
| b | 13.008 ± 0.0003 Å |
| c | 18.6634 ± 0.0004 Å |
| α | 87.033 ± 0.002° |
| β | 87.389 ± 0.002° |
| γ | 84.729 ± 0.002° |
| Cell volume | 1940.3 ± 0.08 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 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 | 0.0579 |
| Residual factor for significantly intense reflections | 0.0455 |
| Weighted residual factors for significantly intense reflections | 0.1137 |
| Weighted residual factors for all reflections included in the refinement | 0.1208 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.065 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 297860 (current) | 2025-02-26 | cif/ Adding structures of 7160389 via cif-deposit CGI script. |
7160389.cif |
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Users of the data should acknowledge the original authors of the
structural data.