Information card for entry 2220789

Structure parameters

• Chemical name: 1,4-dimethoxybenzene
• Formula: C8 H10 O2
• Calculated formula: C8 H10 O2
• SMILES: COc1ccc(cc1)OC
• Title of publication: Redetermination of 1,4-dimethoxybenzene
• Authors of publication: Iuliucci, Robbie; Hoop, Cody L.; Arif, Atta M.; Harper, James K.; Pugmire, Ronald J.; Grant, David M.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 2
• Pages of publication: o251
• a: 7.1757 ± 0.0003 Å
• b: 6.2769 ± 0.0002 Å
• c: 16.5573 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 745.76 ± 0.05 ų
• Cell temperature: 150 ± 1 K
• Ambient diffraction temperature: 150 ± 1 K
• Number of distinct elements: 3
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0441
• Residual factor for significantly intense reflections: 0.0371
• Weighted residual factors for significantly intense reflections: 0.0953
• Weighted residual factors for all reflections included in the refinement: 0.1009
• Goodness-of-fit parameter for all reflections included in the refinement: 1.089
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes