Information card for entry 2213507

Structure parameters

• Chemical name: (3Z,4Z)-3,4-Bis(1,3-benzodioxol-5-ylmethylene)tetrahydrofuran-2,5-dione
• Formula: C20 H12 O7
• Calculated formula: C20 H12 O7
• SMILES: O1c2c(OC1)ccc(c2)/C=C1/C(=C/c2cc3OCOc3cc2)C(=O)OC1=O
• Title of publication: (3<i>Z</i>,4<i>Z</i>)-3,4-Bis(1,3-benzodioxol-5-ylmethylene)tetrahydrofuran-2,5-dione
• Authors of publication: Dong, Wen-Liang; Yao, Wei-Jian; Wei, Fang; Zhao, Bao-Xiang
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 5
• Pages of publication: o2776 - o2777
• a: 4.6461 ± 0.0002 Å
• b: 14.2262 ± 0.0006 Å
• c: 23.9227 ± 0.0011 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1581.2 ± 0.12 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 3
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.1262
• Residual factor for significantly intense reflections: 0.0575
• Weighted residual factors for significantly intense reflections: 0.1266
• Weighted residual factors for all reflections included in the refinement: 0.1703
• Goodness-of-fit parameter for all reflections included in the refinement: 0.994
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes