Information card for entry 2213934

Structure parameters

• Chemical name: (3<i>E</i>,4<i>Z</i>)-3-[1,3-Benzodioxol-5-yl)methylene]-4-(2-\ pentylidene)tetrahydrofuran-2,5-dione
• Formula: C17 H16 O5
• Calculated formula: C17 H16 O5
• SMILES: O1c2cc(ccc2OC1)C=C1C(=C(/CCC)C)\C(=O)OC1=O
• Title of publication: (3<i>E</i>,4<i>Z</i>)-3-[(1,3-Benzodioxol-5-yl)methylene]-4-(2-pentylidene)tetrahydrofuran-2,5-dione
• Authors of publication: Dong, Wen-Liang; Zhang, Jin-Hua; Zheng, Liang-Wen; Zhao, Bao-Xiang
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 6
• Pages of publication: o3040 - o3040
• a: 7.8597 ± 0.0011 Å
• b: 15.383 ± 0.003 Å
• c: 12.781 ± 0.002 Å
• α: 90°
• β: 105.117 ± 0.01°
• γ: 90°
• Cell volume: 1491.8 ± 0.4 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.1025
• Residual factor for significantly intense reflections: 0.0558
• Weighted residual factors for significantly intense reflections: 0.1599
• Weighted residual factors for all reflections included in the refinement: 0.2033
• Goodness-of-fit parameter for all reflections included in the refinement: 0.944
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes