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Information card for entry 1573213
Preview
| Coordinates | 1573213.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C10 H8 Br N O2 S |
|---|---|
| Calculated formula | C10 H8 Br N O2 S |
| Title of publication | Ru(ii)-catalyzed regioselective oxidative Heck reaction with internal olefins that tolerated strongly coordinating heterocycles |
| Authors of publication | Chen, Ci; Zhang, Qiaoya; Huang, Zhiwei; Ouyang, Wensen; Gao, Yang; Luo, Jiye; Liu, Yuan; Huo, Yanping; Chen, Qian; Li, Xianwei |
| Journal of publication | Chemical Science |
| Year of publication | 2024 |
| a | 3.9971 ± 0.0001 Å |
| b | 7.0195 ± 0.0002 Å |
| c | 40.9871 ± 0.001 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1150 ± 0.05 Å3 |
| Cell temperature | 298 ± 2 K |
| Ambient diffraction temperature | 297.97 K |
| Number of distinct elements | 6 |
| Space group number | 19 |
| Hermann-Mauguin space group symbol | P 21 21 21 |
| Hall space group symbol | P 2ac 2ab |
| Residual factor for all reflections | 0.036 |
| Residual factor for significantly intense reflections | 0.0317 |
| Weighted residual factors for significantly intense reflections | 0.0786 |
| Weighted residual factors for all reflections included in the refinement | 0.0805 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.031 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 296016 (current) | 2024-11-21 | cif/ Adding structures of 1573213 via cif-deposit CGI script. |
1573213.cif |
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Users of the data should acknowledge the original authors of the
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