Information card for entry 2021490

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: 4.9195 ± 0.0005 Å
• b: 8.5997 ± 0.0007 Å
• c: 12.0667 ± 0.001 Å
• α: 108.576 ± 0.008°
• β: 97.152 ± 0.008°
• γ: 92.576 ± 0.008°
• Cell volume: 478.19 ± 0.08 ų
• Cell temperature: 250 K
• Ambient diffraction temperature: 250 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: 0.0795
• Residual factor for significantly intense reflections: 0.0438
• Weighted residual factors for significantly intense reflections: 0.0812
• Weighted residual factors for all reflections included in the refinement: 0.0912
• 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