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Information card for entry 1571441
Preview
| Coordinates | 1571441.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Chemical name | BrB2NpoCb2 |
|---|---|
| Formula | C25 H36 B21 Br Cl2 |
| Calculated formula | C25 H36 B21 Br Cl2 |
| Title of publication | Carborane-arene fused boracyclic analogues of polycyclic aromatic hydrocarbons accessed by intramolecular borylation. |
| Authors of publication | Li, Yijie; Tamizmani, Masilamani; Akram, Manjur O.; Martin, Caleb D. |
| Journal of publication | Chemical science |
| Year of publication | 2024 |
| Journal volume | 15 |
| Journal issue | 20 |
| Pages of publication | 7568 - 7575 |
| a | 10.959 ± 0.0006 Å |
| b | 15.3894 ± 0.0007 Å |
| c | 20.917 ± 0.0012 Å |
| α | 90° |
| β | 94.611 ± 0.002° |
| γ | 90° |
| Cell volume | 3516.3 ± 0.3 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 2 K |
| Number of distinct elements | 5 |
| 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 | 0.0634 |
| Residual factor for significantly intense reflections | 0.0532 |
| Weighted residual factors for significantly intense reflections | 0.1512 |
| Weighted residual factors for all reflections included in the refinement | 0.1636 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.069 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 292905 (current) | 2024-07-05 | cif/ Updating files of 1571438, 1571439, 1571440, 1571441, 1571442, 1571443 Original log message: Adding full bibliography for 1571438--1571443.cif. |
1571441.cif |
| 291233 | 2024-04-17 | cif/ Adding structures of 1571438, 1571439, 1571440, 1571441, 1571442, 1571443 via cif-deposit CGI script. |
1571441.cif |
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Users of the data should acknowledge the original authors of the
structural data.