Information card for entry 2108756

Structure parameters

• Common name: sodium tert-amyloxide tert-amylol solvate
• Chemical name: sodium 2-methyl-2-butoxide 2-methyl-2-butanol solvate
• Formula: C10 H23 Na O2
• Calculated formula: C10 H23 Na O2
• 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: 10.126 ± 0.0008 Å
• b: 6.0299 ± 0.0005 Å
• c: 20.6944 ± 0.0018 Å
• α: 90°
• β: 104.16°
• γ: 90°
• Cell volume: 1225.18 ± 0.18 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0911
• Residual factor for significantly intense reflections: 0.0574
• Weighted residual factors for significantly intense reflections: 0.147
• Weighted residual factors for all reflections included in the refinement: 0.1613
• Goodness-of-fit parameter for all reflections included in the refinement: 1.008
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No