Information card for entry 1577466

Structure parameters

• Formula: C4 H7 N O4
• Calculated formula: C4 H7 N O4
• Title of publication: Twinned L-aspartic acid
• Authors of publication: Lutz, Martin
• Journal of publication: IUCrData
• Year of publication: 2025
• Journal volume: 10
• Journal issue: 10
• Pages of publication: 0 - 0
• a: 5.1237 ± 0.0002 Å
• b: 6.9197 ± 0.0003 Å
• c: 7.6006 ± 0.0004 Å
• α: 90°
• β: 100.442 ± 0.002°
• γ: 90°
• Cell volume: 265.01 ± 0.02 ų
• Cell temperature: 150.15 K
• Ambient diffraction temperature: 150.15 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: 0.017
• Residual factor for significantly intense reflections: 0.0165
• Weighted residual factors for significantly intense reflections: 0.0368
• Weighted residual factors for all reflections included in the refinement: 0.0369
• Goodness-of-fit parameter for all reflections included in the refinement: 0.9865
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes