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Information card for entry 7160702
Preview
| Coordinates | 7160702.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C17 H22 N2 O4 |
|---|---|
| Calculated formula | C17 H22 N2 O4 |
| Title of publication | Oxidative Rearrangement of Indoles Mediated by 2-Bromoethanol and Hydrogen Peroxide to Access Spirooxindoles |
| Authors of publication | Xiao, Dan; Shi, Haofeng; He, Jiaxin; Yang, Kaiyue; Yin, Dongxue; Wang, Zhijian; Gao, Yingjie; Du, Yunfei |
| Journal of publication | Organic & Biomolecular Chemistry |
| Year of publication | 2025 |
| a | 21.8864 ± 0.0007 Å |
| b | 5.8178 ± 0.0002 Å |
| c | 25.8026 ± 0.001 Å |
| α | 90° |
| β | 106.691 ± 0.004° |
| γ | 90° |
| Cell volume | 3147 ± 0.2 Å3 |
| Cell temperature | 99.99 ± 0.1 K |
| Ambient diffraction temperature | 99.99 ± 0.1 K |
| Number of distinct elements | 4 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | I 1 2/a 1 |
| Hall space group symbol | -I 2ya |
| Residual factor for all reflections | 0.0571 |
| Residual factor for significantly intense reflections | 0.0401 |
| Weighted residual factors for significantly intense reflections | 0.0949 |
| Weighted residual factors for all reflections included in the refinement | 0.1024 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.029 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301918 (current) | 2025-08-28 | cif/ Adding structures of 7160702 via cif-deposit CGI script. |
7160702.cif |
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Users of the data should acknowledge the original authors of the
structural data.