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Information card for entry 7156147
Preview
| Coordinates | 7156147.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C15 H15 N O3 |
|---|---|
| Calculated formula | C15 H15 N O3 |
| Title of publication | Regioselective construction of 1,3-diaryl tetrahydroindazolones via the three-component reaction of 1,3-cyclohexanediones, β-nitrostyrenes and arylhydrazines. |
| Authors of publication | Wang, Ting; Qing, Xushun; Dai, Chenlu; Su, Zhenjie; Wang, Cunde |
| Journal of publication | Organic & biomolecular chemistry |
| Year of publication | 2018 |
| Journal volume | 16 |
| Journal issue | 14 |
| Pages of publication | 2456 - 2463 |
| a | 12.836 ± 0.007 Å |
| b | 8.234 ± 0.003 Å |
| c | 13.79 ± 0.01 Å |
| α | 90° |
| β | 117.679 ± 0.017° |
| γ | 90° |
| Cell volume | 1290.7 ± 1.3 Å3 |
| Cell temperature | 296 K |
| Ambient diffraction temperature | 296 K |
| Number of distinct elements | 4 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.0896 |
| Residual factor for significantly intense reflections | 0.0595 |
| Weighted residual factors for significantly intense reflections | 0.1671 |
| Weighted residual factors for all reflections included in the refinement | 0.1884 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.082 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301861 (current) | 2025-08-22 | Add cross-references to PubChem compounds in COD range 7/15/ Each referenced PubChem compound corresponds to the full crystal structure. |
7156147.cif |
| 230790 | 2019-11-17 | cif/ Updating files of 7156146, 7156147, 7156148 Original log message: Adding full bibliography for 7156146--7156148.cif. |
7156147.cif |
| 206926 | 2018-03-13 | cif/ Adding structures of 7156146, 7156147, 7156148 via cif-deposit CGI script. |
7156147.cif |
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Users of the data should acknowledge the original authors of the
structural data.