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Information card for entry 4036246
Preview
| Coordinates | 4036246.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C29 H17 B F2 N2 S5 |
|---|---|
| Calculated formula | C29 H17 B F2 N2 S5 |
| Title of publication | Stepwise Polychlorination of 8-Chloro-BODIPY and Regioselective Functionalization of 2,3,5,6,8-Pentachloro-BODIPY. |
| Authors of publication | Zhao, Ning; Xuan, Sunting; Fronczek, Frank R.; Smith, Kevin M.; Vicente, M Graça H |
| Journal of publication | The Journal of organic chemistry |
| Year of publication | 2015 |
| Journal volume | 80 |
| Journal issue | 16 |
| Pages of publication | 8377 - 8383 |
| a | 20.337 ± 0.002 Å |
| b | 10.788 ± 0.001 Å |
| c | 13.697 ± 0.002 Å |
| α | 90° |
| β | 120.434 ± 0.01° |
| γ | 90° |
| Cell volume | 2591 ± 0.6 Å3 |
| Cell temperature | 90 ± 0.5 K |
| Ambient diffraction temperature | 90 ± 0.5 K |
| Number of distinct elements | 6 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for all reflections | 0.0548 |
| Residual factor for significantly intense reflections | 0.0407 |
| Weighted residual factors for significantly intense reflections | 0.1027 |
| Weighted residual factors for all reflections included in the refinement | 0.1117 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.037 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 234445 (current) | 2019-11-23 | cif/ Adding structures of 4036246 via cif-deposit CGI script. |
4036246.cif |
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