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Information card for entry 1570844
Preview
| Coordinates | 1570844.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C25 H41 N2 O |
|---|---|
| Calculated formula | C25 H41 N2 O |
| 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 | 9.3426 ± 0.0007 Å |
| b | 13.6019 ± 0.0009 Å |
| c | 19.5752 ± 0.0013 Å |
| α | 75.524 ± 0.002° |
| β | 76.84 ± 0.002° |
| γ | 89.604 ± 0.002° |
| Cell volume | 2342 ± 0.3 Å3 |
| Cell temperature | 273.15 K |
| Ambient diffraction temperature | 273.15 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 | 0.1265 |
| Residual factor for significantly intense reflections | 0.0626 |
| Weighted residual factors for significantly intense reflections | 0.1315 |
| Weighted residual factors for all reflections included in the refinement | 0.1566 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.979 |
| 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 |
|---|---|---|---|
| 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. |
1570844.cif |
| 289240 | 2024-02-01 | cif/ Adding structures of 1570844, 1570845, 1570846, 1570847, 1570848, 1570849, 1570850 via cif-deposit CGI script. |
1570844.cif |
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Users of the data should acknowledge the original authors of the
structural data.