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Information card for entry 7129203
Preview
| Coordinates | 7129203.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C11 H11 N O |
|---|---|
| Calculated formula | C11 H11 N O |
| Title of publication | Ir(iii)-Catalysed electrooxidative intramolecular dehydrogenative C–H/N–H coupling for the synthesis of N–H indoles |
| Authors of publication | Kim, Youyoung; Kim, Dongwook; Chang, Sukbok |
| Journal of publication | Chemical Communications |
| Year of publication | 2021 |
| a | 9.9622 ± 0.0009 Å |
| b | 5.7301 ± 0.0004 Å |
| c | 15.9848 ± 0.0013 Å |
| α | 90° |
| β | 106.083 ± 0.003° |
| γ | 90° |
| Cell volume | 876.77 ± 0.12 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 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 | 0.1289 |
| Residual factor for significantly intense reflections | 0.1139 |
| Weighted residual factors for significantly intense reflections | 0.2674 |
| Weighted residual factors for all reflections included in the refinement | 0.2778 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.162 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 270307 (current) | 2021-11-05 | cif/ Adding structures of 7129202, 7129203 via cif-deposit CGI script. |
7129203.cif |
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