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Information card for entry 7158989
Preview
| Coordinates | 7158989.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C23 H16 N2 O |
|---|---|
| Calculated formula | C23 H16 N2 O |
| Title of publication | Synthesis of imidazo[1,2-a]benzoazepines by alkyne-carbonyl-metathesis |
| Authors of publication | Sobhani, Maryam; Figueira de Abreu, Rúben Manuel; Villinger, Alexander; Ehlers, Peter; Langer, Peter |
| Journal of publication | Organic & Biomolecular Chemistry |
| Year of publication | 2022 |
| a | 11.034 ± 0.002 Å |
| b | 14.502 ± 0.003 Å |
| c | 11.291 ± 0.002 Å |
| α | 90° |
| β | 117.137 ± 0.005° |
| γ | 90° |
| Cell volume | 1607.8 ± 0.5 Å3 |
| Cell temperature | 123 ± 2 K |
| Ambient diffraction temperature | 123 ± 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 | 0.0655 |
| Residual factor for significantly intense reflections | 0.0476 |
| Weighted residual factors for significantly intense reflections | 0.1138 |
| Weighted residual factors for all reflections included in the refinement | 0.1281 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.029 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 279242 (current) | 2022-11-12 | cif/ Adding structures of 7158983, 7158984, 7158985, 7158986, 7158987, 7158988, 7158989, 7158990 via cif-deposit CGI script. |
7158989.cif |
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Users of the data should acknowledge the original authors of the
structural data.