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Information card for entry 7129103
Preview
| Coordinates | 7129103.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C29 H26 N2 O4 |
|---|---|
| Calculated formula | C29 H26 N2 O4 |
| Title of publication | Palladium-catalysed imidoylative spirocyclization of 3-(2-isocyanoethyl)indoles. |
| Authors of publication | Tang, Shi; Ding, Shumin; Li, Dan; Li, Lianjie; Zhao, Haixia; Chai, Minxue; Wang, Jian |
| Journal of publication | Chemical communications (Cambridge, England) |
| Year of publication | 2021 |
| Journal volume | 57 |
| Journal issue | 81 |
| Pages of publication | 10576 - 10579 |
| a | 11.3994 ± 0.0008 Å |
| b | 10.3299 ± 0.0008 Å |
| c | 20.9886 ± 0.0015 Å |
| α | 90° |
| β | 97.981 ± 0.001° |
| γ | 90° |
| Cell volume | 2447.6 ± 0.3 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 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 | 0.0874 |
| Residual factor for significantly intense reflections | 0.0676 |
| Weighted residual factors for significantly intense reflections | 0.1863 |
| Weighted residual factors for all reflections included in the refinement | 0.2006 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.069 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 269921 (current) | 2021-10-14 | cif/ Adding structures of 7129103, 7129104 via cif-deposit CGI script. |
7129103.cif |
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Users of the data should acknowledge the original authors of the
structural data.