Information card for entry 8102882

Structure parameters

• Chemical name: 3-(4-fluorophenyl)-4-hydroxyfuran-2(5<i>H</i>)-one
• Formula: C10 H7 F O3
• Calculated formula: C10 H7 F O3
• SMILES: c1(ccc(cc1)F)C1=C(COC1=O)O
• Title of publication: Crystal structure of 3-(4-fluorophenyl)-4-hydroxyfuran-2(5H)-one, C10H7FO3
• Authors of publication: Zhu-Ping Xiao; Jian Zhu; Wang Jiang; Gong-Xing Li; Xu-Dong Wang
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2010
• Journal volume: 225
• Journal issue: 4
• Pages of publication: 797
• a: 7.5843 ± 0.0016 Å
• b: 8.8626 ± 0.0019 Å
• c: 12.707 ± 0.003 Å
• α: 90°
• β: 90.644 ± 0.01°
• γ: 90°
• Cell volume: 854.1 ± 0.3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• 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: 0.0462
• Residual factor for significantly intense reflections: 0.041
• Weighted residual factors for significantly intense reflections: 0.103
• Weighted residual factors for all reflections included in the refinement: 0.107
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No