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Information card for entry 7120878
Preview
| Coordinates | 7120878.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C22 H21 N3 O2 |
|---|---|
| Calculated formula | C22 H21 N3 O2 |
| SMILES | CCOC(=O)C(C)(C)c1c2c3ccccc3n(c3ncccn3)c2ccc1 |
| Title of publication | Ruthenium Catalysed Remote C4-Selective C-H Functionalisation of Carbazoles via σ-Activation |
| Authors of publication | Leitch, Jamie; Heron, Callum; McKnight, Janette; Kociok-Kohn, Gabriele; Bhonoah, Yunas; Frost, Christopher G. |
| Journal of publication | Chemical Communications |
| Year of publication | 2017 |
| a | 8.3732 ± 0.0005 Å |
| b | 9.5046 ± 0.0005 Å |
| c | 11.9276 ± 0.0004 Å |
| α | 69.88 ± 0.004° |
| β | 88.812 ± 0.004° |
| γ | 84.255 ± 0.004° |
| Cell volume | 886.74 ± 0.08 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 0.1 K |
| Number of distinct elements | 4 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0735 |
| Residual factor for significantly intense reflections | 0.061 |
| Weighted residual factors for significantly intense reflections | 0.149 |
| Weighted residual factors for all reflections included in the refinement | 0.1576 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.071 |
| 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 |
|---|---|---|---|
| 203241 (current) | 2017-11-17 | cif/ Adding structures of 7120878 via cif-deposit CGI script. |
7120878.cif |
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Users of the data should acknowledge the original authors of the
structural data.