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Information card for entry 7157175
Preview
| Coordinates | 7157175.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C21 H16 Br N2 O2 |
|---|---|
| Calculated formula | C21 H17 Br N2 O2 |
| Title of publication | Substituent-oriented C-N bond formation via N-H insertion or Wolff rearrangement of 5-aryl-1H-pyrazoles and diazo compounds |
| Authors of publication | Shang, Yongjia; Zuo, Youpeng; He, Xinwei; Ning, Yi; Tang, Qiang; Xie, Mengqing; Hu, Wangcheng |
| Journal of publication | Organic & Biomolecular Chemistry |
| Year of publication | 2019 |
| a | 11.3784 ± 0.001 Å |
| b | 8.5648 ± 0.0007 Å |
| c | 37.271 ± 0.003 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 3632.2 ± 0.5 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 61 |
| Hermann-Mauguin space group symbol | P b c a |
| Hall space group symbol | -P 2ac 2ab |
| Residual factor for all reflections | 0.085 |
| Residual factor for significantly intense reflections | 0.0474 |
| Weighted residual factors for significantly intense reflections | 0.1059 |
| Weighted residual factors for all reflections included in the refinement | 0.1228 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.029 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 220582 (current) | 2019-10-31 | cif/ Adding structures of 7157174, 7157175, 7157176 via cif-deposit CGI script. |
7157175.cif |
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Users of the data should acknowledge the original authors of the
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