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Information card for entry 2108752
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| Coordinates | 2108752.cif |
|---|---|
| Structure factors | 2108752.hkl |
| Original paper (by DOI) | HTML |
| Common name | Sodium butoxide, sodium n-butanolate |
|---|---|
| Chemical name | sodium 1-butoxide |
| Formula | C4 H9 Na O |
| Calculated formula | C4 H9 Na O |
| 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 | 4.43232 ± 0.00009 Å |
| b | 4.43232 ± 0.00009 Å |
| c | 14.0143 ± 0.0008 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 275.317 ± 0.018 Å3 |
| Cell temperature | 298 K |
| Ambient diffraction temperature | 298 K |
| Number of distinct elements | 4 |
| Space group number | 129 |
| Hermann-Mauguin space group symbol | P 4/n m m :2 |
| Hall space group symbol | -P 4a 2a |
| Residual factor R(I) for significantly intense reflections | 2.34 |
| Goodness-of-fit parameter for all reflections | 1.962 |
| Method of determination | powder diffraction |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 1.54056 Å |
| Diffraction radiation type | CuKα~1~ |
| Has coordinates | Yes |
| Has disorder | No |
| 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. |
2108752.cif 2108752.hkl |
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