Information card for entry 1549978

Structure parameters

• Chemical name: 2-(2-Fluorophenyl)-3-hydroxy-4<i>H</i>-chromen-4-one
• Formula: C15 H9 F O3
• Calculated formula: C15 H9 F O3
• SMILES: c1(=O)c2ccccc2oc(c1O)c1c(F)cccc1
• Title of publication: 2-(2-Fluorophenyl)-3-hydroxy-4<i>H</i>-chromen-4-one
• Authors of publication: Koh, Dongsoo
• Journal of publication: IUCrData
• Year of publication: 2018
• Journal volume: 3
• Journal issue: 9
• Pages of publication: x181332
• a: 22.3701 ± 0.0006 Å
• b: 6.8836 ± 0.0002 Å
• c: 15.7987 ± 0.0004 Å
• α: 90°
• β: 106.058 ± 0.0013°
• γ: 90°
• Cell volume: 2337.88 ± 0.11 ų
• Cell temperature: 223 ± 2 K
• Ambient diffraction temperature: 223 ± 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: 0.0952
• Residual factor for significantly intense reflections: 0.0485
• Weighted residual factors for significantly intense reflections: 0.1104
• Weighted residual factors for all reflections included in the refinement: 0.1341
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes