Information card for entry 2021495

Structure parameters

• Common name: β-Alanine‒<i>DL</i>-tartaric acid (1/1)
• Chemical name: β-Alaninium <i>DL</i>-tartarate
• Formula: C7 H13 N O8
• Calculated formula: C7 H13 N O8
• Title of publication: Concomitant cocrystal and salt: no interconversion in the solid state
• Authors of publication: Losev, Evgeniy A.; Boldyreva, Elena
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2019
• Journal volume: 75
• Journal issue: 3
• a: 4.9089 ± 0.0005 Å
• b: 8.5742 ± 0.0007 Å
• c: 11.9896 ± 0.001 Å
• α: 108.411 ± 0.008°
• β: 96.813 ± 0.008°
• γ: 92.501 ± 0.007°
• Cell volume: 473.67 ± 0.08 ų
• Cell temperature: 175 K
• Ambient diffraction temperature: 175 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: 0.0826
• Residual factor for significantly intense reflections: 0.0466
• Weighted residual factors for significantly intense reflections: 0.0922
• Weighted residual factors for all reflections included in the refinement: 0.1028
• Goodness-of-fit parameter for all reflections included in the refinement: 1.012
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes