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Information card for entry 4308476
Preview
| Coordinates | 4308476.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C31 H22 B N O |
|---|---|
| Calculated formula | C31 H22 B N O |
| SMILES | O1[B]([n]2cccc3c(ccc1c23)c1cccc2ccccc12)(c1ccccc1)c1ccccc1 |
| Title of publication | Organoboron Compounds with an 8-Hydroxyquinolato Chelate and Its Derivatives: Substituent Effects on Structures and Luminescence |
| Authors of publication | Yi Cui; Qin-De Liu; Dong-Ren Bai; Wen-Li Jia; Ye Tao; Suning Wang |
| Journal of publication | Inorganic Chemistry |
| Year of publication | 2005 |
| Journal volume | 44 |
| Pages of publication | 601 - 609 |
| a | 16.85 ± 0.005 Å |
| b | 7.776 ± 0.002 Å |
| c | 18.372 ± 0.006 Å |
| α | 90° |
| β | 107.837 ± 0.005° |
| γ | 90° |
| Cell volume | 2291.5 ± 1.2 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.3101 |
| Residual factor for significantly intense reflections | 0.0711 |
| Weighted residual factors for significantly intense reflections | 0.1244 |
| Weighted residual factors for all reflections included in the refinement | 0.163 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.707 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
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