Information card for entry 4308630

Structure parameters

• Formula: C10 H13 Na O2
• Calculated formula: C10 H13 Na O2
• SMILES: [Na+].[O-]c1ccc(cc1)CC.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: 10.3777 ± 0.0001 Å
• b: 16.5849 ± 0.0002 Å
• c: 17.953 ± 0.0002 Å
• α: 90°
• β: 95.596 ± 0.001°
• γ: 90°
• Cell volume: 3075.22 ± 0.06 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0487
• Residual factor for significantly intense reflections: 0.0365
• Weighted residual factors for significantly intense reflections: 0.1032
• Weighted residual factors for all reflections included in the refinement: 0.1084
• Goodness-of-fit parameter for all reflections included in the refinement: 1.096
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No