Information card for entry 2233674

Structure parameters

• Chemical name: 2-(4-Fluorophenyl)-2<i>H</i>-chromen-4(3<i>H</i>)-one
• Formula: C15 H11 F O2
• Calculated formula: C15 H11 F O2
• SMILES: O1C(CC(=O)c2ccccc12)c1ccc(cc1)F
• Title of publication: 2-(4-Fluorophenyl)-2<i>H</i>-chromen-4(3<i>H</i>)-one
• Authors of publication: Wera, Michał; Chalyi, Andriy G.; Roshal, Alexander D.; Błażejowski, Jerzy
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 2
• Pages of publication: o253 - o254
• a: 11.7896 ± 0.0013 Å
• b: 5.2309 ± 0.0008 Å
• c: 19.74 ± 0.003 Å
• α: 90°
• β: 91.63 ± 0.011°
• γ: 90°
• Cell volume: 1216.9 ± 0.3 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.128
• Residual factor for significantly intense reflections: 0.0556
• Weighted residual factors for significantly intense reflections: 0.1197
• Weighted residual factors for all reflections included in the refinement: 0.1601
• Goodness-of-fit parameter for all reflections included in the refinement: 1.014
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes