Information card for entry 2206112

Structure parameters

• Chemical name: 4-Hydroxyphenylacetic acid
• Formula: C8 H8 O3
• Calculated formula: C8 H8 O3
• SMILES: c1c(ccc(c1)CC(=O)O)O
• Title of publication: 4-Hydroxyphenylacetic acid
• Authors of publication: Sandra Gracin; Andreas Fischer
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 6
• Pages of publication: o1919 - o1920
• a: 5.31 ± 0.0003 Å
• b: 9.0392 ± 0.0004 Å
• c: 15.3871 ± 0.0008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 738.55 ± 0.07 ų
• Cell temperature: 299 K
• Number of distinct elements: 3
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.063
• Residual factor for significantly intense reflections: 0.044
• Weighted residual factors for significantly intense reflections: 0.099
• Weighted residual factors for all reflections included in the refinement: 0.111
• Goodness-of-fit parameter for all reflections included in the refinement: 1.08
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes