Information card for entry 2212796

Structure parameters

• Chemical name: Diethyl 2,5-bis(1,3-benzodioxol-5-yl)furan-3,4-dicarboxylate
• Formula: C24 H20 O9
• Calculated formula: C24 H20 O9
• SMILES: C1Oc2ccc(cc2O1)c1c(c(c(c2ccc3c(c2)OCO3)o1)C(=O)OCC)C(=O)OCC
• Title of publication: Diethyl 2,5-bis(1,3-benzodioxol-5-yl)furan-3,4-dicarboxylate
• Authors of publication: Hu, Sheng-li; Wang, Yu-Zhou; Gao, Meng
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 4
• Pages of publication: o1855 - o1856
• a: 9.7835 ± 0.0017 Å
• b: 10.6602 ± 0.0018 Å
• c: 11.304 ± 0.0019 Å
• α: 85.684 ± 0.003°
• β: 84.1 ± 0.003°
• γ: 64.454 ± 0.003°
• Cell volume: 1057.4 ± 0.3 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: 0.0733
• Residual factor for significantly intense reflections: 0.0549
• Weighted residual factors for significantly intense reflections: 0.1373
• Weighted residual factors for all reflections included in the refinement: 0.1606
• Goodness-of-fit parameter for all reflections included in the refinement: 1.057
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes