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Information card for entry 7158950
Preview
| Coordinates | 7158950.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C28 H22 N4 O |
|---|---|
| Calculated formula | C28 H22 N4 O |
| Title of publication | Hypervalent Iodine(III)-Mediated Oxidative Dearomatization of 2H-Indazoles towards Indazolyl Indazolones |
| Authors of publication | Bhattacharjee, Suvam; Laru, Sudip; Hajra, Alakananda |
| Journal of publication | Organic & Biomolecular Chemistry |
| Year of publication | 2022 |
| a | 9.1723 ± 0.0004 Å |
| b | 10.9238 ± 0.0005 Å |
| c | 12.8796 ± 0.0006 Å |
| α | 65.036 ± 0.001° |
| β | 78.334 ± 0.001° |
| γ | 71.536 ± 0.001° |
| Cell volume | 1106.17 ± 0.09 Å3 |
| Cell temperature | 300 ± 2 K |
| Ambient diffraction temperature | 300 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0461 |
| Residual factor for significantly intense reflections | 0.0391 |
| Weighted residual factors for significantly intense reflections | 0.0946 |
| Weighted residual factors for all reflections included in the refinement | 0.1022 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.066 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 278764 (current) | 2022-10-25 | cif/ Adding structures of 7158950 via cif-deposit CGI script. |
7158950.cif |
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Users of the data should acknowledge the original authors of the
structural data.