Information card for entry 2208927

Structure parameters

• Chemical name: (2RS,3SR)-Diethyl 2,3-dibenzoylsuccinate
• Formula: C22 H22 O6
• Calculated formula: C22 H22 O6
• SMILES: CCOC(=O)[C@H](C(=O)c1ccccc1)[C@H](C(=O)c1ccccc1)C(=O)OCC
• Title of publication: (2<i>R</i>,3<i>S</i>)-Diethyl 2,3-dibenzoylsuccinate
• Authors of publication: Hu, Sheng-Li; Liu, Xian-Mei; Guo, Hui-Zhen; Wu, An-Xin
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 5
• Pages of publication: o1966 - o1967
• a: 11.328 ± 0.004 Å
• b: 11.228 ± 0.004 Å
• c: 15.986 ± 0.006 Å
• α: 90°
• β: 92.868 ± 0.006°
• γ: 90°
• Cell volume: 2030.7 ± 1.3 ų
• Cell temperature: 292 ± 2 K
• Ambient diffraction temperature: 292 ± 2 K
• Number of distinct elements: 3
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1041
• Residual factor for significantly intense reflections: 0.068
• Weighted residual factors for significantly intense reflections: 0.1937
• Weighted residual factors for all reflections included in the refinement: 0.2189
• Goodness-of-fit parameter for all reflections included in the refinement: 1.057
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes