Information card for entry 2224698

Structure parameters

• Chemical name: 1-(3,4-Dihydroxyphenyl)-2-(4-hydroxyphenyl)ethanone
• Formula: C14 H12 O4
• Calculated formula: C14 H12 O4
• SMILES: c1(c(cc(cc1)C(=O)Cc1ccc(cc1)O)O)O
• Title of publication: 1-(3,4-Dihydroxyphenyl)-2-(4-hydroxyphenyl)ethanone
• Authors of publication: Xiao, Zhu-Ping; Yi, Shou-Fu; Ou, Gao-Yu; Zhang, Fang; Zhu, Jian
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 1
• Pages of publication: o4
• a: 5.7073 ± 0.0011 Å
• b: 9.3464 ± 0.0019 Å
• c: 11.202 ± 0.002 Å
• α: 100.112 ± 0.009°
• β: 94.792 ± 0.009°
• γ: 100.625 ± 0.009°
• Cell volume: 574.01 ± 0.19 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.0657
• Residual factor for significantly intense reflections: 0.0546
• Weighted residual factors for significantly intense reflections: 0.1602
• Weighted residual factors for all reflections included in the refinement: 0.1721
• Goodness-of-fit parameter for all reflections included in the refinement: 1.056
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes