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Information card for entry 7112046
Preview
| Coordinates | 7112046.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C80.12 H67.72 B3 Cl1.09 F6 N15.52 O6.25 |
|---|---|
| Calculated formula | C80.118 H67.7216 B3 Cl1.088 F6 N15.515 O6.25 |
| 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 | 14.6707 ± 0.0006 Å |
| b | 17.145 ± 0.0007 Å |
| c | 18.0545 ± 0.001 Å |
| α | 118.335 ± 0.0017° |
| β | 96.657 ± 0.003° |
| γ | 90.695 ± 0.002° |
| Cell volume | 3958.5 ± 0.3 Å3 |
| Cell temperature | 90 ± 2 K |
| Ambient diffraction temperature | 90 ± 2 K |
| Number of distinct elements | 7 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.1129 |
| Residual factor for significantly intense reflections | 0.0871 |
| Weighted residual factors for significantly intense reflections | 0.2442 |
| Weighted residual factors for all reflections included in the refinement | 0.2809 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.026 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | Mo |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
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