Information card for entry 2018584

Structure parameters

• Common name: terebic acid
• Chemical name: (±)-2,2-Dimethyl-5-oxotetrahydrofuran-3-carboxylic acid
• Formula: C7 H10 O4
• Calculated formula: C7 H10 O4
• SMILES: C1(CC(=O)OC1(C)C)C(=O)O
• Title of publication: (±)-2,2-Dimethyl-5-oxotetrahydrofuran-3-carboxylic acid (terebic acid): a racemic layered structure
• Authors of publication: Santos, L. M.; Legendre, A. O.; Villis, P. C. M.; Viegas Jr, C.; Doriguetto, A. C.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 8
• Pages of publication: o294 - o297
• a: 5.989 ± 0.001 Å
• b: 5.663 ± 0.001 Å
• c: 22.282 ± 0.001 Å
• α: 90°
• β: 97.07 ± 0.01°
• γ: 90°
• Cell volume: 749.96 ± 0.19 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0601
• Residual factor for significantly intense reflections: 0.0423
• Weighted residual factors for all reflections included in the refinement: 0.1148
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes