Information card for entry 2003310

Structure parameters

• Formula: C8 H8 O4
• Calculated formula: C8 H8 O4
• SMILES: OC(=O)Cc1cc(O)ccc1O
• Title of publication: Homogentisic Acid
• Authors of publication: Okabe, N.; Kohyama, Y.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1995
• Journal volume: 51
• Journal issue: 4
• Pages of publication: 761 - 763
• a: 10.127 ± 0.002 Å
• b: 4.87 ± 0.002 Å
• c: 15.811 ± 0.002 Å
• α: 90°
• β: 106.61 ± 0.01°
• γ: 90°
• Cell volume: 747.2 ± 0.4 ų
• Cell temperature: 296 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/a 1
• Hall space group symbol: -P 2yab
• Residual factor for significantly intense reflections: 0.051
• Weighted residual factors for significantly intense reflections: 0.049
• Goodness-of-fit parameter for significantly intense reflections: 1.47
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No