Information card for entry 2206841

Structure parameters

• Chemical name: (2RS,3SR)-Diethyl 2,3-bis(1,3-benzodioxole-5-carbonyl)succinate
• Formula: C24 H22 O10
• Calculated formula: C24 H22 O10
• SMILES: CCOC(=O)[C@H](C(=O)c1ccc2c(c1)OCO2)[C@H](C(=O)c1ccc2c(c1)OCO2)C(=O)OCC
• Title of publication: (2<i>RS</i>,3<i>SR</i>)-Diethyl 2,3-bis(1,3-benzodioxole-5-carbonyl)succinate
• Authors of publication: Hu, Shengli; She, Neng-Fang; Wu, An-Xin
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 10
• Pages of publication: o3317 - o3318
• a: 8.0043 ± 0.001 Å
• b: 9.5866 ± 0.0013 Å
• c: 14.6977 ± 0.0019 Å
• α: 90°
• β: 96.778 ± 0.002°
• γ: 90°
• Cell volume: 1119.9 ± 0.3 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/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.109
• Residual factor for significantly intense reflections: 0.06
• Weighted residual factors for significantly intense reflections: 0.15
• Weighted residual factors for all reflections included in the refinement: 0.177
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes