Information card for entry 2222905

Structure parameters

• Chemical name: 4-(4-Fluorophenoxy)benzoic acid
• Formula: C13 H9 F O3
• Calculated formula: C13 H9 F O3
• SMILES: Fc1ccc(Oc2ccc(cc2)C(=O)O)cc1
• Title of publication: 4-(4-Fluorophenoxy)benzoic acid
• Authors of publication: Fun, Hoong-Kun; Goh, Jia Hao; Rai, Sankappa; Shetty, Prakash; Isloor, Arun M.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 8
• Pages of publication: o1971
• a: 5.885 ± 0.0001 Å
• b: 7.8526 ± 0.0002 Å
• c: 12.025 ± 0.0002 Å
• α: 91.803 ± 0.001°
• β: 96.321 ± 0.001°
• γ: 106.027 ± 0.001°
• Cell volume: 529.745 ± 0.019 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.057
• Residual factor for significantly intense reflections: 0.045
• Weighted residual factors for significantly intense reflections: 0.115
• Weighted residual factors for all reflections included in the refinement: 0.123
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes