Information card for entry 4516513

Structure parameters

• Common name: (S)-(-)-malic acid urea addition compound
• Chemical name: '(S)-(-)-hydroxysuccinic acid urea addition compound'
• Formula: C5 H10 N2 O6
• Calculated formula: C5 H10 N2 O6
• 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: 6.6411 ± 0.0002 Å
• b: 6.9162 ± 0.0002 Å
• c: 9.0495 ± 0.0002 Å
• α: 90°
• β: 94.697 ± 0.001°
• γ: 90°
• Cell volume: 414.26 ± 0.02 ų
• Cell temperature: 80 ± 2 K
• Ambient diffraction temperature: 80 ± 2 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: 0.021
• Residual factor for significantly intense reflections: 0.019
• Weighted residual factors for all reflections included in the refinement: 0.025
• Goodness-of-fit parameter for all reflections included in the refinement: 1.904
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No