Information card for entry 2206307

Structure parameters

• Chemical name: Diethyl 2,3-bis(benzo[1,3]dioxole-5-carbonyl)but-2-enedioate
• Formula: C24 H20 O10
• Calculated formula: C24 H20 O10
• SMILES: CCOC(=O)C(=C(\C(=O)c1ccc2c(c1)OCO2)C(=O)OCC)/C(=O)c1ccc2c(c1)OCO2
• Title of publication: Diethyl 2,3-bis(benzo[1,3]dioxole-5-carbonyl)but-2-enedioate
• Authors of publication: Wang, Zhi-Guo; Chen, Ai-Hua; Yin, Guo-Dong; Wu, An-Xin
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 7
• Pages of publication: o2320 - o2321
• a: 11.1653 ± 0.0014 Å
• b: 13.3535 ± 0.0017 Å
• c: 7.738 ± 0.001 Å
• α: 90°
• β: 107.082 ± 0.002°
• γ: 90°
• Cell volume: 1102.8 ± 0.2 ų
• Cell temperature: 292 ± 2 K
• Ambient diffraction temperature: 292 ± 2 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.065
• Residual factor for significantly intense reflections: 0.054
• Weighted residual factors for significantly intense reflections: 0.139
• Weighted residual factors for all reflections included in the refinement: 0.147
• Goodness-of-fit parameter for all reflections included in the refinement: 1.08
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes