Information card for entry 2207036

Structure parameters

• Chemical name: (2RS,3SR)-Diethyl 2,3-bis(3,4-dimethoxybenzoyl)succinate
• Formula: C26 H30 O10
• Calculated formula: C26 H30 O10
• SMILES: CCOC(=O)[C@H](C(=O)c1ccc(c(c1)OC)OC)[C@H](C(=O)c1ccc(c(c1)OC)OC)C(=O)OCC
• Title of publication: (2<i>RS</i>,3<i>SR</i>)-Diethyl 2,3-bis(3,4-dimethoxybenzoyl)succinate
• Authors of publication: Wang, Zhi-Guo; Chen, Ai-Hua; Hu, Sheng-Li; Wu, An-Xin
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 10
• Pages of publication: o3172 - o3173
• a: 8.5045 ± 0.001 Å
• b: 8.5868 ± 0.001 Å
• c: 9.085 ± 0.0011 Å
• α: 80.306 ± 0.002°
• β: 75.645 ± 0.002°
• γ: 75.245 ± 0.002°
• Cell volume: 617.6 ± 0.13 ų
• Cell temperature: 292 ± 2 K
• Ambient diffraction temperature: 292 ± 2 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0509
• Residual factor for significantly intense reflections: 0.0455
• Weighted residual factors for significantly intense reflections: 0.1263
• Weighted residual factors for all reflections included in the refinement: 0.1325
• Goodness-of-fit parameter for all reflections included in the refinement: 1.064
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes