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Information card for entry 4308478
Preview
| Coordinates | 4308478.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C25 H16 B N O S2 |
|---|---|
| Calculated formula | C25 H16 B N O S2 |
| SMILES | [B]1(Oc2cccc3ccc[n]1c23)(c1sc2c(c1)cccc2)c1sc2c(c1)cccc2 |
| 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 | 12.242 ± 0.004 Å |
| b | 17.188 ± 0.006 Å |
| c | 19.354 ± 0.007 Å |
| α | 90° |
| β | 91.748 ± 0.006° |
| γ | 90° |
| Cell volume | 4070 ± 2 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.1256 |
| Residual factor for significantly intense reflections | 0.059 |
| Weighted residual factors for significantly intense reflections | 0.1511 |
| Weighted residual factors for all reflections included in the refinement | 0.1737 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.898 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
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