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Information card for entry 7132165
Preview
| Coordinates | 7132165.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C8 H5 B Br2 N2 O2 |
|---|---|
| Calculated formula | C8 H5 B Br2 N2 O2 |
| Title of publication | Copper-Catalyzed Nitration of Electron-Deficient BN-Naphthalene |
| Authors of publication | Fang, Xiangdong |
| Journal of publication | Chemical Communications |
| Year of publication | 2023 |
| a | 10.6162 ± 0.0012 Å |
| b | 10.7945 ± 0.0011 Å |
| c | 13.7859 ± 0.0016 Å |
| α | 98.209 ± 0.004° |
| β | 97.619 ± 0.004° |
| γ | 98.727 ± 0.004° |
| Cell volume | 1526.2 ± 0.3 Å3 |
| Cell temperature | 190 ± 2 K |
| Ambient diffraction temperature | 190 K |
| Number of distinct elements | 6 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0746 |
| Residual factor for significantly intense reflections | 0.0581 |
| Weighted residual factors for significantly intense reflections | 0.1562 |
| Weighted residual factors for all reflections included in the refinement | 0.1685 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.054 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 286605 (current) | 2023-10-01 | cif/ Adding structures of 7132163, 7132164, 7132165, 7132166 via cif-deposit CGI script. |
7132165.cif |
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Users of the data should acknowledge the original authors of the
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