Information card for entry 4308631

Structure parameters

• Common name: sodium 4-fluorophenoxide dioxane
• Formula: C8 H8 F Na O2
• Calculated formula: C8 H8 F Na O2
• SMILES: [Na+].[O-]c1ccc(F)cc1.O1CCOCC1
• Title of publication: Rational Assembly of Primitive Cubic Networks Using Hexameric Stacks of Sodium Aryloxides as Nodes
• Authors of publication: Dugald J. MacDougall; Bruce C. Noll; Kenneth W. Henderson
• Journal of publication: Inorganic Chemistry
• Year of publication: 2005
• Journal volume: 44
• Pages of publication: 1181 - 1183
• a: 10.3782 ± 0.0002 Å
• b: 11.1745 ± 0.0002 Å
• c: 12.9564 ± 0.0002 Å
• α: 65.384 ± 0.001°
• β: 77.787 ± 0.001°
• γ: 64.896 ± 0.001°
• Cell volume: 1235.87 ± 0.04 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0406
• Residual factor for significantly intense reflections: 0.0348
• Weighted residual factors for significantly intense reflections: 0.0978
• Weighted residual factors for all reflections included in the refinement: 0.1012
• Goodness-of-fit parameter for all reflections included in the refinement: 1.072
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No