Information card for entry 1570705

Structure parameters

• Common name: <i>rac</i>-Hydroxyisovaleric acid
• Chemical name: <i>rac</i>-2-Hydroxy-3-methylbutanoic acid
• Formula: C5 H10 O3
• Calculated formula: C5 H10 O3
• Title of publication: rac-Hydroxyisovaleric acid
• Authors of publication: Dasi, Lukhanyo; Hosten, Eric Cyriel; Betz, Richard
• Journal of publication: IUCrData
• Year of publication: 2024
• Journal volume: 9
• Journal issue: 1
• a: 10.9589 ± 0.0004 Å
• b: 9.328 ± 0.0004 Å
• c: 12.7255 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1300.86 ± 0.1 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 3
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0425
• Residual factor for significantly intense reflections: 0.0354
• Weighted residual factors for significantly intense reflections: 0.1011
• Weighted residual factors for all reflections included in the refinement: 0.1069
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No