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Information card for entry 7132163
Preview
| Coordinates | 7132163.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Chemical name | 1,8-Diiodo-9,10-BN-Naphthalene |
|---|---|
| Formula | C8 H6 B I2 N |
| Calculated formula | C8 H6 B I2 N |
| SMILES | IC1=CC=CN2C=CC=C(B12)I |
| 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 | 8.561 ± 0.004 Å |
| b | 13.824 ± 0.006 Å |
| c | 14.98 ± 0.005 Å |
| α | 109.617 ± 0.009° |
| β | 106.009 ± 0.009° |
| γ | 102.214 ± 0.007° |
| Cell volume | 1511.9 ± 1.1 Å3 |
| Cell temperature | 283 ± 2 K |
| Ambient diffraction temperature | 283 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0875 |
| Residual factor for significantly intense reflections | 0.0487 |
| Weighted residual factors for significantly intense reflections | 0.0962 |
| Weighted residual factors for all reflections included in the refinement | 0.1142 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.022 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 297289 (current) | 2025-01-11 | cif/7: Updating Z values and formulae |
7132163.cif |
| 286605 | 2023-10-01 | cif/ Adding structures of 7132163, 7132164, 7132165, 7132166 via cif-deposit CGI script. |
7132163.cif |
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