Information card for entry 2216330

Structure parameters

• Common name: 2,2-Di(cyclopropyl)glycolic acid
• Chemical name: 2,2-Dicyclopropylglycolic acid
• Formula: C8 H12 O3
• Calculated formula: C8 H12 O3
• SMILES: OC(C(=O)O)(C1CC1)C1CC1
• Title of publication: 2,2-Dicyclopropylglycolic acid
• Authors of publication: Betz, Richard; Klüfers, Peter
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 12
• Pages of publication: o4921 - o4921
• a: 5.8595 ± 0.0003 Å
• b: 7.2955 ± 0.0003 Å
• c: 10.5515 ± 0.0005 Å
• α: 92.107 ± 0.003°
• β: 100.758 ± 0.003°
• γ: 112.263 ± 0.003°
• Cell volume: 407.22 ± 0.03 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0567
• Residual factor for significantly intense reflections: 0.0386
• Weighted residual factors for significantly intense reflections: 0.0935
• Weighted residual factors for all reflections included in the refinement: 0.1035
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes