Information card for entry 2011719

Structure parameters

• Chemical name: Dimethyl 3-benzyl-2-(4-methyl-2,5-dioxoimidazolidin-1-yl)butanedioate
• Formula: C17 H20 N2 O6
• Calculated formula: C17 H20 N2 O6
• SMILES: O(C(=O)[C@H]([C@H](N1C(=O)[C@@H](NC1=O)C)C(=O)OC)Cc1ccccc1)C.O(C(=O)[C@@H]([C@@H](N1C(=O)[C@@H](NC1=O)C)C(=O)OC)Cc1ccccc1)C
• Title of publication: Diméthyl 3-benzyl-2-(4-méthyl-2,5-dioxoimidazolidin-1-yl)butanedioate
• Authors of publication: Rolland, Marc; Jenhi, Aicha; Lavergne, Jean-Pierre; Martinez, Jean; Hasnaoui, Aïssa
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2001
• Journal volume: 57
• Journal issue: 1
• Pages of publication: 62 - 63
• a: 11.0323 ± 0.0007 Å
• b: 11.7742 ± 0.0004 Å
• c: 14.1121 ± 0.0009 Å
• α: 90°
• β: 99.38 ± 0.002°
• γ: 90°
• Cell volume: 1808.6 ± 0.17 ų
• Cell temperature: 298 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.069
• Residual factor for significantly intense reflections: 0.052
• Weighted residual factors for all reflections included in the refinement: 0.048
• Goodness-of-fit parameter for all reflections: 1.215
• Goodness-of-fit parameter for all reflections included in the refinement: 1.241
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes