Information card for entry 2108754

Structure parameters

• 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 ų
• 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