Information card for entry 2208737

Structure parameters

• Chemical name: Diethyl 2,3-bis(4-methoxybenzoyl)succinate
• Formula: C24 H26 O8
• Calculated formula: C24 H26 O8
• SMILES: O=C(OCC)[C@@H]([C@@H](C(=O)c1ccc(OC)cc1)C(=O)OCC)C(=O)c1ccc(OC)cc1.O=C(OCC)[C@H]([C@H](C(=O)c1ccc(OC)cc1)C(=O)OCC)C(=O)c1ccc(OC)cc1
• Title of publication: Diethyl 2,3-bis(4-methoxybenzoyl)succinate
• Authors of publication: Liu, Hong-Xia; Wang, Zhi-Guo; Wu, An-Xin
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 4
• Pages of publication: o1284 - o1285
• a: 13.079 ± 0.005 Å
• b: 9.611 ± 0.004 Å
• c: 18.572 ± 0.007 Å
• α: 90°
• β: 102.757 ± 0.008°
• γ: 90°
• Cell volume: 2276.9 ± 1.5 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: 0.072
• Residual factor for significantly intense reflections: 0.056
• Weighted residual factors for significantly intense reflections: 0.14
• Weighted residual factors for all reflections included in the refinement: 0.151
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes