Information card for entry 2200982

Structure parameters

• Formula: C19 H14 O6
• Calculated formula: C19 H14 O6
• SMILES: O(C)c1ccc(C2=C(C(=O)c3ccc(OC)cc3)C(=O)C(=O)O2)cc1
• Title of publication: 4-(4-Methoxybenzoyl)-5-(4-methoxyphenyl)-2,3-dihydro-2,3-furandione
• Authors of publication: Hökelek, Tuncer; Saripinar, Emïn; Yıldırım, Ismaïl; Akkurt, Mehmet; Akçamur, Yunus
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2002
• Journal volume: 58
• Journal issue: 1
• Pages of publication: o30 - o32
• a: 8.3574 ± 0.001 Å
• b: 9.5422 ± 0.001 Å
• c: 19.775 ± 0.002 Å
• α: 90°
• β: 96.197 ± 0.008°
• γ: 90°
• Cell volume: 1567.8 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for significantly intense reflections: 0.0448
• Weighted residual factors for all reflections included in the refinement: 0.1158
• Goodness-of-fit parameter for all reflections included in the refinement: 0.979
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes