Information card for entry 2205162

Structure parameters

• Common name: 2,5-Dimethoxybenzene-1,4-dicarbaldehyde
• Chemical name: 2,5-Dimethoxybenzene-1,4-dicarbaldehyde
• Formula: C10 H10 O4
• Calculated formula: C10 H10 O4
• SMILES: COc1cc(C=O)c(cc1C=O)OC
• Title of publication: 2,5-Dimethoxybenzene-1,4-dicarbaldehyde
• Authors of publication: Christian B. Nielsen; Michael Pittelkow; Henning Osholm Sørensen
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 2
• Pages of publication: o473 - o474
• a: 7.133 ± 0.0006 Å
• b: 8.005 ± 0.0009 Å
• c: 8.452 ± 0.0011 Å
• α: 99.571 ± 0.009°
• β: 112.751 ± 0.006°
• γ: 93.146 ± 0.008°
• Cell volume: 435.08 ± 0.09 ų
• Cell temperature: 122 ± 1 K
• Ambient diffraction temperature: 122 ± 1 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0784
• Residual factor for significantly intense reflections: 0.0461
• Weighted residual factors for significantly intense reflections: 0.1114
• Weighted residual factors for all reflections included in the refinement: 0.13
• Goodness-of-fit parameter for all reflections included in the refinement: 1.024
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No