Information card for entry 8107373

Structure parameters

• Formula: C17 H11 F O3
• Calculated formula: C17 H11 F O3
• SMILES: O1C(=CC(=O)c2ccccc12)CC(=O)c1c(F)cccc1
• Title of publication: Synthesis and crystal structure of 2-(2-(2-fluorophenyl)-2-oxoethyl)-4H-chromen-4-one, C17H11FO3
• Authors of publication: Liu, Yi; Liu, Feng; Chen, Yang; Yan, Xiaolong; Xiao, Tao
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2023
• Journal volume: 238
• Journal issue: 1
• Pages of publication: 129 - 131
• a: 9.1987 ± 0.0002 Å
• b: 17.5458 ± 0.0003 Å
• c: 8.5802 ± 0.0002 Å
• α: 90°
• β: 108.193 ± 0.003°
• γ: 90°
• Cell volume: 1315.6 ± 0.05 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0406
• Residual factor for significantly intense reflections: 0.0346
• Weighted residual factors for significantly intense reflections: 0.111
• Weighted residual factors for all reflections included in the refinement: 0.1196
• Goodness-of-fit parameter for all reflections included in the refinement: 1.001
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No