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Information card for entry 4038696
Preview
| Coordinates | 4038696.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C20 H20 Cl N O Se |
|---|---|
| Calculated formula | C20 H20 Cl N O Se |
| Title of publication | Silver-Catalyzed Remote C5-H Selenylation of Indoles. |
| Authors of publication | Song, Wei-Hong; Shi, Jia; Chen, Xiaohong; Song, Guoyong |
| Journal of publication | The Journal of organic chemistry |
| Year of publication | 2020 |
| a | 5.6868 ± 0.0002 Å |
| b | 14.0452 ± 0.001 Å |
| c | 22.1678 ± 0.0007 Å |
| α | 90° |
| β | 96.97 ± 0.003° |
| γ | 90° |
| Cell volume | 1757.51 ± 0.15 Å3 |
| Cell temperature | 110.1 ± 0.1 K |
| Ambient diffraction temperature | 110.1 ± 0.1 K |
| Number of distinct elements | 6 |
| 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 | 0.0446 |
| Residual factor for significantly intense reflections | 0.0348 |
| Weighted residual factors for significantly intense reflections | 0.0713 |
| Weighted residual factors for all reflections included in the refinement | 0.076 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.042 |
| 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 |
|---|---|---|---|
| 255329 (current) | 2020-08-15 | cif/ Adding structures of 4038696 via cif-deposit CGI script. |
4038696.cif |
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Users of the data should acknowledge the original authors of the
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