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Information card for entry 7134832
Preview
| Coordinates | 7134832.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C18 H18 Cl N O2 |
|---|---|
| Calculated formula | C18 H18 Cl N O2 |
| Title of publication | Sulfoxonium ylides as carbon radical precursors in three-component carbohalogenation of alkenes |
| Authors of publication | Xian, Ning; Yin, Jiang; Ji, Xiaochen; Huang, Huawen |
| Journal of publication | Chemical Communications |
| Year of publication | 2025 |
| a | 12.3189 ± 0.0016 Å |
| b | 8.9755 ± 0.0011 Å |
| c | 28.721 ± 0.004 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 3175.6 ± 0.7 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 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 | 0.064 |
| Residual factor for significantly intense reflections | 0.059 |
| Weighted residual factors for significantly intense reflections | 0.1397 |
| Weighted residual factors for all reflections included in the refinement | 0.1425 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.115 |
| Diffraction radiation wavelength | 1.34139 Å |
| Diffraction radiation type | GaKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301250 (current) | 2025-07-15 | cif/ Adding structures of 7134832 via cif-deposit CGI script. |
7134832.cif |
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