Information card for entry 4516514

Structure parameters

• Common name: oxalic acid urea addition compound
• Chemical name: 'ethanedioic acid urea addition compound'
• Formula: C4 H10 N4 O6
• Calculated formula: C4 H10 N4 O6
• SMILES: C(=O)(O)C(=O)O.C(=O)(N)N.C(=O)(N)N
• Title of publication: Electron Density Distribution of Urea in Co-crystals with Rigid and Flexible Dicarboxylic Acids
• Authors of publication: Krawczuk, Anna; Gryl, Marlena; Pitak, Mateusz B.; Stadnicka, Katarzyna
• Journal of publication: Crystal Growth & Design
• Year of publication: 2015
• Journal volume: 15
• Journal issue: 11
• Pages of publication: 5578
• a: 5.0451 ± 0.0001 Å
• b: 12.3754 ± 0.0002 Å
• c: 6.8563 ± 0.0001 Å
• α: 90°
• β: 96.289 ± 0.001°
• γ: 90°
• Cell volume: 425.498 ± 0.013 ų
• Cell temperature: 80 ± 2 K
• Ambient diffraction temperature: 80 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.036
• Residual factor for significantly intense reflections: 0.024
• Weighted residual factors for all reflections included in the refinement: 0.02
• Goodness-of-fit parameter for all reflections included in the refinement: 1.217
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No