Information card for entry 2206983

Structure parameters

• Chemical name: rac-Diethyl 2,3-bis(2-methoxybenzoyl)succinate
• Formula: C24 H26 O8
• Calculated formula: C24 H26 O8
• SMILES: COc1ccccc1C(=O)[C@@H](C(=O)OCC)[C@H](C(=O)OCC)C(=O)c1ccccc1OC.COc1ccccc1C(=O)[C@H](C(=O)OCC)[C@@H](C(=O)OCC)C(=O)c1ccccc1OC
• Title of publication: <i>rac</i>-Diethyl 2,3-bis(2-methoxybenzoyl)succinate
• Authors of publication: Meng, Xiang-gao; Wu, An-Xin
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 10
• Pages of publication: o3203 - o3204
• a: 7.651 ± 0.001 Å
• b: 28.146 ± 0.004 Å
• c: 10.977 ± 0.0014 Å
• α: 90°
• β: 103.214 ± 0.002°
• γ: 90°
• Cell volume: 2301.3 ± 0.5 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: 0.0908
• Residual factor for significantly intense reflections: 0.0654
• Weighted residual factors for significantly intense reflections: 0.1625
• Weighted residual factors for all reflections included in the refinement: 0.1771
• Goodness-of-fit parameter for all reflections included in the refinement: 1.088
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes