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Information card for entry 1567394
Preview
| Coordinates | 1567394.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C21 H16 O2 S |
|---|---|
| Calculated formula | C21 H16 O2 S |
| Title of publication | Electrochemically-promoted synthesis of benzo[b]thiophene-1,1-dioxides via strained quaternary spirocyclization |
| Authors of publication | Li, Rui-Tao; Yuan, Da-Fu; Ping, Meng-Qi; Zhu, Yu-Yi; Ni, Shao-Fei; Li, Ming; Wen, Li-Rong; Zhang, Lin-Bao |
| Journal of publication | Chemical Science |
| Year of publication | 2022 |
| a | 8.7021 ± 0.0002 Å |
| b | 10.4858 ± 0.0002 Å |
| c | 18.6175 ± 0.0004 Å |
| α | 90° |
| β | 94.841 ± 0.002° |
| γ | 90° |
| Cell volume | 1692.76 ± 0.06 Å3 |
| Cell temperature | 170.01 ± 0.1 K |
| Ambient diffraction temperature | 170.01 ± 0.1 K |
| Number of distinct elements | 4 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.0385 |
| Residual factor for significantly intense reflections | 0.0353 |
| Weighted residual factors for significantly intense reflections | 0.0988 |
| Weighted residual factors for all reflections included in the refinement | 0.1009 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.043 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 276984 (current) | 2022-07-29 | cif/ Adding structures of 1567394, 1567395, 1567396 via cif-deposit CGI script. |
1567394.cif |
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Users of the data should acknowledge the original authors of the
structural data.