Information card for entry 2213295

Structure parameters

• Chemical name: (RS)-2-[(Furan-2-carbonyl)amino]propionic acid
• Formula: C8 H9 N O4
• Calculated formula: C8 H9 N O4
• SMILES: OC(=O)C(NC(=O)c1occc1)C
• Title of publication: (<i>RS</i>)-2-[(Furan-2-carbonyl)amino]propionic acid
• Authors of publication: Xiang-Chao Zeng
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 5
• Pages of publication: o2537 - o2539
• a: 8.424 ± 0.0011 Å
• b: 10.1388 ± 0.0013 Å
• c: 10.822 ± 0.0014 Å
• α: 104.146 ± 0.002°
• β: 94.137 ± 0.002°
• γ: 106.413 ± 0.002°
• Cell volume: 849.78 ± 0.19 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 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 all reflections: 0.0501
• Residual factor for significantly intense reflections: 0.043
• Weighted residual factors for significantly intense reflections: 0.1234
• Weighted residual factors for all reflections included in the refinement: 0.1321
• Goodness-of-fit parameter for all reflections included in the refinement: 1.079
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes