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Information card for entry 2108754
Preview
| Coordinates | 2108754.cif |
|---|---|
| Structure factors | 2108754.hkl |
| Original paper (by DOI) | HTML |
| Common name | sodium iso-propoxide iso-pentanol pentasolvate |
|---|---|
| Chemical name | sodium iso-propoxide iso-pentanol pentasolvate |
| Formula | C18 H47 Na O6 |
| Calculated formula | C18 H47 Na O6 |
| Title of publication | Disordered sodium alkoxides from powder data: crystal structures of sodium ethoxide, propoxide, butoxide and pentoxide, and some of their solvates |
| Authors of publication | Beske, Maurice; Cronje, Stephanie; Schmidt, Martin U.; Tapmeyer, Lukas |
| Journal of publication | Acta Crystallographica Section B |
| Year of publication | 2021 |
| Journal volume | 77 |
| Journal issue | 1 |
| a | 21.2073 ± 0.0018 Å |
| b | 17.1307 ± 0.0013 Å |
| c | 17.825 ± 0.002 Å |
| α | 90° |
| β | 123.871 ± 0.005° |
| γ | 90° |
| Cell volume | 5376.8 ± 0.9 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for all reflections | 0.1569 |
| Residual factor for significantly intense reflections | 0.1215 |
| Weighted residual factors for significantly intense reflections | 0.3399 |
| Weighted residual factors for all reflections included in the refinement | 0.3669 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.163 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 261216 (current) | 2021-01-26 | cif/ hkl/ Adding structures of 2108749, 2108750, 2108751, 2108752, 2108753, 2108754, 2108755, 2108756 via cif-deposit CGI script. |
2108754.cif 2108754.hkl |
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Users of the data should acknowledge the original authors of the
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