Information card for entry 2020946

Structure parameters

• Common name: Beta-alanine-DL-tartaric acid (1:1) (III)
• Chemical name: Beta-alanine-DL-tartaric acid (1:1) (III)
• Formula: C7 H13 N O8
• Calculated formula: C7 H13 N O8
• Title of publication: The effect of amino acid backbone length on molecular packing: crystalline tartrates of glycine, β-alanine, γ-aminobutyric acid (GABA) and <small>DL</small>-α-aminobutyric acid (AABA)
• Authors of publication: Losev, Evgeniy; Boldyreva, Elena
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2018
• Journal volume: 74
• Journal issue: 2
• a: 4.9216 ± 0.0003 Å
• b: 8.5949 ± 0.0006 Å
• c: 12.1187 ± 0.0007 Å
• α: 108.61 ± 0.006°
• β: 97.243 ± 0.005°
• γ: 92.752 ± 0.005°
• Cell volume: 479.82 ± 0.06 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 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: 0.0499
• Residual factor for significantly intense reflections: 0.0397
• Weighted residual factors for significantly intense reflections: 0.0968
• Weighted residual factors for all reflections included in the refinement: 0.1066
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No