Information card for entry 2241392

Structure parameters

• Chemical name: 3,4-Dimethoxyphenol
• Formula: C8 H10 O3
• Calculated formula: C8 H10 O3
• SMILES: Oc1cc(OC)c(OC)cc1
• Title of publication: Crystal structure of 3,4-dimethoxyphenol
• Authors of publication: Mills-Robles, Heather A.; Desikan, Vasumathi; Golen, James A.; Manke, David R.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2015
• Journal volume: 71
• Journal issue: 12
• Pages of publication: o1019
• a: 8.7477 ± 0.0004 Å
• b: 13.8218 ± 0.0007 Å
• c: 26.6422 ± 0.0013 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3221.3 ± 0.3 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120.02 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: 0.0514
• Residual factor for significantly intense reflections: 0.0423
• Weighted residual factors for significantly intense reflections: 0.1095
• Weighted residual factors for all reflections included in the refinement: 0.1156
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes