Information card for entry 2214526

Structure parameters

• Chemical name: (3<i>E</i>,4<i>E</i>)-3-(1,3-Benzodioxol-5-ylmethylene)-4-\ (1-phenylethylidene)tetrahydrofuran-2,5-dione
• Formula: C20 H14 O5
• Calculated formula: C20 H14 O5
• SMILES: c1ccc(cc1)C(=C1/C(=O)OC(=O)/C1=C/c1cc2c(cc1)OCO2)/C
• Title of publication: (3<i>E</i>,4<i>E</i>)-3-(1,3-Benzodioxol-5-ylmethylene)-4-(1-phenylethylidene)tetrahydrofuran-2,5-dione
• Authors of publication: Zheng, Liang-Wen; Dong, Wen-Liang; Zhang, Jin-Hua; Zhao, Bao-Xiang
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 8
• Pages of publication: o3567 - o3567
• a: 7.2201 ± 0.0002 Å
• b: 18.0627 ± 0.0005 Å
• c: 12.2046 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1591.66 ± 0.08 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 3
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0413
• Residual factor for significantly intense reflections: 0.0319
• Weighted residual factors for significantly intense reflections: 0.0804
• Weighted residual factors for all reflections included in the refinement: 0.0863
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes