Information card for entry 2010332

Structure parameters

• Formula: C5 H8 N2 O5
• Calculated formula: C5 H8 N2 O5
• SMILES: C(=O)(C(CC(=O)O)NC(=O)N)O
• Title of publication: Redetermination of the structure of <i>N</i>-carbamyl-<small>D</small>,<small>L</small>-aspartic acid
• Authors of publication: Zvargulis, Evan S.; Hambley, Trevor W.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1994
• Journal volume: 50
• Journal issue: 12
• Pages of publication: 2058 - 2060
• a: 6.443 ± 0.002 Å
• b: 7.476 ± 0.002 Å
• c: 8.058 ± 0.003 Å
• α: 72.27 ± 0.02°
• β: 80.82 ± 0.03°
• γ: 76.23 ± 0.02°
• Cell volume: 357.5 ± 0.2 ų
• Cell temperature: 294 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for significantly intense reflections: 0.03
• Weighted residual factors for significantly intense reflections: 0.043
• Goodness-of-fit parameter for significantly intense reflections: 4.88
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No