Information card for entry 2228376

Structure parameters

• Chemical name: 1-Benzyl-2,5-dioxopyrrolidine-3,4-diyl diacetate
• Formula: C15 H15 N O6
• Calculated formula: C15 H15 N O6
• SMILES: O=C1N(C(=O)[C@H](OC(=O)C)[C@H]1OC(=O)C)Cc1ccccc1
• Title of publication: 1-Benzyl-2,5-dioxopyrrolidine-3,4-diyl diacetate
• Authors of publication: Caracelli, Ignez; Ferreira, Fernando P.; Vieira, Adriano S.; Stefani, Hélio A.; De Simone, Carlos A.; Tiekink, Edward R. T.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 12
• Pages of publication: o3044
• a: 8.8498 ± 0.0004 Å
• b: 9.8107 ± 0.0004 Å
• c: 17.5148 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1520.68 ± 0.11 ų
• Cell temperature: 290 ± 2 K
• Ambient diffraction temperature: 290 ± 2 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.044
• Residual factor for significantly intense reflections: 0.036
• Weighted residual factors for significantly intense reflections: 0.081
• Weighted residual factors for all reflections included in the refinement: 0.085
• Goodness-of-fit parameter for all reflections included in the refinement: 1.07
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes