Information card for entry 2215620

Structure parameters

• Common name: tert-butylglycolic acid
• Chemical name: <i>tert</i>-Butylglycolic acid
• Formula: C6 H12 O3
• Calculated formula: C6 H12 O3
• SMILES: OC(C(=O)O)C(C)(C)C
• Title of publication: <i>tert</i>-Butylglycolic acid
• Authors of publication: Betz, Richard; Klüfers, Peter; Mangstl, Martin M.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 10
• Pages of publication: o4144 - o4144
• a: 21.236 ± 0.002 Å
• b: 13.4486 ± 0.0013 Å
• c: 11.4351 ± 0.0013 Å
• α: 90°
• β: 111.537 ± 0.01°
• γ: 90°
• Cell volume: 3037.8 ± 0.6 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 3
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.066
• Residual factor for significantly intense reflections: 0.0482
• Weighted residual factors for significantly intense reflections: 0.1274
• Weighted residual factors for all reflections included in the refinement: 0.142
• Goodness-of-fit parameter for all reflections included in the refinement: 1.1
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes