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Information card for entry 7719031
Preview
| Coordinates | 7719031.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C20 H15 B Br F2 N3 |
|---|---|
| Calculated formula | C20 H15 B Br F2 N3 |
| Title of publication | Synthesis, structure, spectral and redox properties of 3-pyrrolyl BODIPYs containing one to eight bromides at the pyrrole carbons. |
| Authors of publication | Chauhan, Pinky; Ravikanth, Mangalampalli |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2025 |
| Journal volume | 54 |
| Journal issue | 18 |
| Pages of publication | 7465 - 7474 |
| a | 8.4783 ± 0.0002 Å |
| b | 10.79 ± 0.0003 Å |
| c | 20.1223 ± 0.0006 Å |
| α | 90° |
| β | 101.314 ± 0.003° |
| γ | 90° |
| Cell volume | 1805.03 ± 0.09 Å3 |
| Cell temperature | 150 ± 0.1 K |
| Ambient diffraction temperature | 150 ± 0.1 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 | 0.062 |
| Residual factor for significantly intense reflections | 0.052 |
| Weighted residual factors for significantly intense reflections | 0.1283 |
| Weighted residual factors for all reflections included in the refinement | 0.1359 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.039 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 300365 (current) | 2025-07-05 | cif/ Adding structures of 7719031, 7719032, 7719033, 7719034, 7719035 via cif-deposit CGI script. |
7719031.cif |
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Users of the data should acknowledge the original authors of the
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