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Information card for entry 1570847
Preview
| Coordinates | 1570847.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C47 H65 N3 |
|---|---|
| Calculated formula | C47 H65 N3 |
| Title of publication | Ambiphilicity of ring-expanded N-heterocyclic carbenes. |
| Authors of publication | Vermersch, François; Wang, Victor T.; Abdellaoui, Mehdi; Jazzar, Rodolphe; Bertrand, Guy |
| Journal of publication | Chemical science |
| Year of publication | 2024 |
| Journal volume | 15 |
| Journal issue | 10 |
| Pages of publication | 3707 - 3710 |
| a | 10.1396 ± 0.0004 Å |
| b | 20.3171 ± 0.0008 Å |
| c | 19.4251 ± 0.0007 Å |
| α | 90° |
| β | 100.025 ± 0.001° |
| γ | 90° |
| Cell volume | 3940.6 ± 0.3 Å3 |
| Cell temperature | 273.15 K |
| Ambient diffraction temperature | 273.15 K |
| Number of distinct elements | 3 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.0665 |
| Residual factor for significantly intense reflections | 0.0441 |
| Weighted residual factors for significantly intense reflections | 0.0961 |
| Weighted residual factors for all reflections included in the refinement | 0.1063 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.026 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Diffraction radiation X-ray symbol | K-L~3~ |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 290837 (current) | 2024-04-05 | cif/ Updating files of 1570844, 1570845, 1570846, 1570847, 1570848, 1570849, 1570850 Original log message: Adding full bibliography for 1570844--1570850.cif. |
1570847.cif |
| 289240 | 2024-02-01 | cif/ Adding structures of 1570844, 1570845, 1570846, 1570847, 1570848, 1570849, 1570850 via cif-deposit CGI script. |
1570847.cif |
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Users of the data should acknowledge the original authors of the
structural data.