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Information card for entry 7133356
Preview
| Coordinates | 7133356.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Chemical name | 3Ph |
|---|---|
| Formula | C21 H15 B Cl N |
| Calculated formula | C21 H15 B Cl N |
| Title of publication | Synthesis of phenanthrylboroles and formal nitrene insertion to access azaborapyrenes. |
| Authors of publication | Zacharias, Harie; Begum, Ayesha; Han, Jianhua; Bartholome, Tyler A.; Marder, Todd B.; Martin, Caleb D. |
| Journal of publication | Chemical communications (Cambridge, England) |
| Year of publication | 2024 |
| Journal volume | 60 |
| Journal issue | 66 |
| Pages of publication | 8740 - 8743 |
| a | 5.4556 ± 0.0003 Å |
| b | 16.6414 ± 0.0013 Å |
| c | 17.5759 ± 0.0013 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1595.7 ± 0.19 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 19 |
| Hermann-Mauguin space group symbol | P 21 21 21 |
| Hall space group symbol | P 2ac 2ab |
| Residual factor for all reflections | 0.0376 |
| Residual factor for significantly intense reflections | 0.0352 |
| Weighted residual factors for significantly intense reflections | 0.0854 |
| Weighted residual factors for all reflections included in the refinement | 0.0869 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.122 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 294434 (current) | 2024-09-06 | cif/ Updating files of 7133355, 7133356 Original log message: Adding full bibliography for 7133355--7133356.cif. |
7133356.cif |
| 293439 | 2024-07-18 | cif/ Adding structures of 7133355, 7133356 via cif-deposit CGI script. |
7133356.cif |
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