Information card for entry 2009647

Structure parameters

• Formula: C13 H9 F O2
• Calculated formula: C13 H9 F O2
• SMILES: Fc1cccc(c1)C(=O)Oc1ccccc1
• Title of publication: Phenyl 3-fluorobenzoate
• Authors of publication: Shibakami, M.; Tamura, M.; Arimura, T.; Kurosawa, S.; Sekiya, A.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1994
• Journal volume: 50
• Journal issue: 4
• Pages of publication: 592 - 594
• a: 7.827 ± 0.002 Å
• b: 23.364 ± 0.002 Å
• c: 5.843 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1068.5 ± 0.5 ų
• Cell temperature: 293 K
• Number of distinct elements: 4
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for significantly intense reflections: 0.043
• Weighted residual factors for significantly intense reflections: 0.047
• Goodness-of-fit parameter for significantly intense reflections: 3.45
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No