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Information card for entry 7112045
Preview
| Coordinates | 7112045.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C58 H50 B3 Cl12 F6 N9 |
|---|---|
| Calculated formula | C58 H50 B3 Cl12 F6 N9 |
| Title of publication | Oxidation of 2-amino-substituted BODIPYs providing pyrazine-fused BODIPY trimers |
| Authors of publication | Hiroki Yokoi; Naruhiko Wachi; Satoru Hiroto; Hiroshi Shinokubo |
| Journal of publication | Chem.Commun. |
| Year of publication | 2014 |
| Journal volume | 50 |
| Pages of publication | 2715 |
| a | 15.068 ± 0.005 Å |
| b | 14.208 ± 0.005 Å |
| c | 30.518 ± 0.01 Å |
| α | 90° |
| β | 99.173 ± 0.004° |
| γ | 90° |
| Cell volume | 6450 ± 4 Å3 |
| Cell temperature | 103 ± 2 K |
| Ambient diffraction temperature | 103 ± 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 | 0.11 |
| Residual factor for significantly intense reflections | 0.0938 |
| Weighted residual factors for significantly intense reflections | 0.2718 |
| Weighted residual factors for all reflections included in the refinement | 0.2931 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.05 |
| Diffraction radiation wavelength | 0.71075 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
Version history
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Users of the data should acknowledge the original authors of the
structural data.