Information card for entry 8105294

Structure parameters

• Chemical name: 3-acetyl-4-hydroxybenzoic acid
• Formula: C18 H16 O8
• Calculated formula: C18 H16 O8
• Title of publication: Crystal structure of 3-acetyl-4-hydroxybenzoic acid, C18H16O8
• Authors of publication: Gu, Jia; Huang, Cui-Xin; Zheng, Yan-Ling; Nie, Xu-Liang; Chen, Jin-Zhu
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2020
• Journal volume: 235
• Journal issue: 4
• Pages of publication: 807 - 809
• a: 5.321 ± 0.0008 Å
• b: 5.1825 ± 0.0008 Å
• c: 29.598 ± 0.005 Å
• α: 90°
• β: 93.875 ± 0.002°
• γ: 90°
• Cell volume: 814.3 ± 0.2 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.0382
• Residual factor for significantly intense reflections: 0.034
• Weighted residual factors for significantly intense reflections: 0.0975
• Weighted residual factors for all reflections included in the refinement: 0.1011
• Goodness-of-fit parameter for all reflections included in the refinement: 1.076
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No