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Information card for entry 7160816
Preview
| Coordinates | 7160816.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C17 H9 Br N2 O2 |
|---|---|
| Calculated formula | C17 H9 Br N2 O2 |
| Title of publication | Catalyst-free C−H Bond Halogenation/Imidation of N-heterocycle |
| Authors of publication | Liu, Miao; Zhang, Xueying; Li, Nan; Zhang, Xu; Zhao, Congyong; Shen, Xiaobao; Zhai, Hongbin; Wu, Fufang |
| Journal of publication | Organic & Biomolecular Chemistry |
| Year of publication | 2025 |
| a | 18.9318 ± 0.0014 Å |
| b | 11.3071 ± 0.0006 Å |
| c | 15.6112 ± 0.001 Å |
| α | 90° |
| β | 121.523 ± 0.007° |
| γ | 90° |
| Cell volume | 2848.6 ± 0.4 Å3 |
| Cell temperature | 298 ± 2 K |
| Ambient diffraction temperature | 298 ± 2 K |
| Number of distinct elements | 5 |
| 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 | 0.0803 |
| Residual factor for significantly intense reflections | 0.0522 |
| Weighted residual factors for significantly intense reflections | 0.112 |
| Weighted residual factors for all reflections included in the refinement | 0.12 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.035 |
| 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 |
|---|---|---|---|
| 302965 (current) | 2025-10-18 | cif/ Adding structures of 7160816 via cif-deposit CGI script. |
7160816.cif |
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Users of the data should acknowledge the original authors of the
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