Information card for entry 2206623

Structure parameters

• Chemical name: Diethyl 2-(1,3-benzodioxol-5-yl)-5-(3,4-dimethoxyphenyl)furan-3,4-dicarboxylate
• Formula: C25 H24 O9
• Calculated formula: C25 H24 O9
• SMILES: C1Oc2c(ccc(c2)c2c(c(c(c3cc(c(cc3)OC)OC)o2)C(=O)OCC)C(=O)OCC)O1
• Title of publication: Diethyl 2-(1,3-benzodioxol-5-yl)-5-(3,4-dimethoxyphenyl)furan-3,4-dicarboxylate
• Authors of publication: Hu, Sheng-Li; Wang, Zhi-Guo; Wu, An-Xin
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 9
• Pages of publication: o2801 - o2803
• a: 7.8137 ± 0.0009 Å
• b: 11.0275 ± 0.0012 Å
• c: 13.9703 ± 0.0015 Å
• α: 80.796 ± 0.002°
• β: 75.547 ± 0.002°
• γ: 76.001 ± 0.002°
• Cell volume: 1124.7 ± 0.2 ų
• Cell temperature: 292 ± 2 K
• Ambient diffraction temperature: 292 ± 2 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: 0.0611
• Residual factor for significantly intense reflections: 0.0446
• Weighted residual factors for significantly intense reflections: 0.1165
• Weighted residual factors for all reflections included in the refinement: 0.1257
• Goodness-of-fit parameter for all reflections included in the refinement: 0.982
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes