Information card for entry 2228043

Structure parameters

• Common name: felbinac
• Chemical name: 2-(Biphenyl-4-yl)acetic acid
• Formula: C14 H12 O2
• Calculated formula: C14 H12 O2
• SMILES: O=C(O)Cc1ccc(cc1)c1ccccc1
• Title of publication: 2-(Biphenyl-4-yl)acetic acid (felbinac)
• Authors of publication: Van Eerdenbrugh, Bernard; Fanwick, Phillip E.; Taylor, Lynne S.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 10
• Pages of publication: o2609
• a: 46.248 ± 0.019 Å
• b: 6.465 ± 0.003 Å
• c: 7.47 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2233.5 ± 1.6 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 3
• Space group number: 60
• Hermann-Mauguin space group symbol: P b c n
• Hall space group symbol: -P 2n 2ab
• Residual factor for all reflections: 0.046
• Residual factor for significantly intense reflections: 0.038
• Weighted residual factors for significantly intense reflections: 0.1
• Weighted residual factors for all reflections included in the refinement: 0.107
• Goodness-of-fit parameter for all reflections included in the refinement: 1.084
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CU-Kα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes