Information card for entry 2108751

Structure parameters

• Common name: Sodium propoxide, Sodium propanolate
• Chemical name: sodium 1-propoxide
• Formula: C3 H7 Na O
• Calculated formula: C3 H7 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: 4.38439 ± 0.00005 Å
• b: 4.38439 ± 0.00005 Å
• c: 12.1431 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 233.425 ± 0.007 ų
• 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: 1.647
• Goodness-of-fit parameter for all reflections: 1.622
• 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