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Information card for entry 2022991
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| Coordinates | 2022991.cif |
|---|---|
| Structure factors | 2022991.hkl |
| Original IUCr paper | HTML |
| Chemical name | (2-Methylidene-1,2-dihydropyridinium-κ<i>N</i>)tris(tetrahydrofuran-κ<i>O</i>)lithium |
|---|---|
| Formula | C18 H30 Li N O3 |
| Calculated formula | C18 H30 Li N O3 |
| Title of publication | Crystal structure and Hirshfeld surface analysis of 2-picolyllithium·3thf. |
| Authors of publication | Mairath, Tristan; Schmidt, Annika; Strohmann, Carsten |
| Journal of publication | Acta crystallographica. Section E, Crystallographic communications |
| Year of publication | 2024 |
| Journal volume | 80 |
| Journal issue | Pt 1 |
| Pages of publication | 78 - 82 |
| a | 9.267 ± 0.003 Å |
| b | 13.178 ± 0.004 Å |
| c | 15.053 ± 0.005 Å |
| α | 90° |
| β | 94.437 ± 0.006° |
| γ | 90° |
| Cell volume | 1832.8 ± 1 Å3 |
| Cell temperature | 100 K |
| Ambient diffraction temperature | 100 K |
| Number of distinct elements | 5 |
| 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 | 0.0738 |
| Residual factor for significantly intense reflections | 0.0524 |
| Weighted residual factors for significantly intense reflections | 0.1428 |
| Weighted residual factors for all reflections included in the refinement | 0.1585 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.04 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 289691 (current) | 2024-02-05 | cif/ Updating files of 2022991 Original log message: Adding full bibliography for 2022991.cif. |
2022991.cif 2022991.hkl |
| 288526 | 2023-12-23 | cif/ hkl/ Adding structures of 2022991 via cif-deposit CGI script. |
2022991.cif 2022991.hkl |
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Users of the data should acknowledge the original authors of the
structural data.