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Information card for entry 4126188
Preview
| Coordinates | 4126188.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C27 H23 N Si |
|---|---|
| Calculated formula | C27 H23 N Si |
| SMILES | Cn1cc(c2ccccc12)[Si](c1ccccc1)(c1ccccc1)c1ccccc1 |
| Title of publication | B(C6F5)3-Catalyzed (Convergent) Disproportionation Reaction of Indoles. |
| Authors of publication | Han, Yuxi; Zhang, Sutao; He, Jianghua; Zhang, Yuetao |
| Journal of publication | Journal of the American Chemical Society |
| Year of publication | 2017 |
| Journal volume | 139 |
| Journal issue | 21 |
| Pages of publication | 7399 - 7407 |
| a | 9.845 ± 0.002 Å |
| b | 17.109 ± 0.004 Å |
| c | 12.769 ± 0.003 Å |
| α | 90° |
| β | 98.083 ± 0.005° |
| γ | 90° |
| Cell volume | 2129.4 ± 0.8 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 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 | 0.0797 |
| Residual factor for significantly intense reflections | 0.059 |
| Weighted residual factors for significantly intense reflections | 0.1582 |
| Weighted residual factors for all reflections included in the refinement | 0.1735 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.093 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 197310 (current) | 2017-06-04 | cif/ Adding structures of 4126188 via cif-deposit CGI script. |
4126188.cif |
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