Information card for entry 2210446

Structure parameters

• Common name: 3-(2-fluorophenyl)-2-phenylacrylic acid
• Chemical name: 3-(2-fluorophenyl)-2-phenylacrylic acid
• Formula: C15 H11 F O2
• Calculated formula: C15 H11 F O2
• SMILES: c1(ccccc1/C=C(c1ccccc1)/C(=O)O)F
• Title of publication: 3-(2-Fluorophenyl)-2-phenylacrylic acid
• Authors of publication: Tariq Mahmood Babar; Nasim Hasan Rama; Ghulam Qadeer; Gul Shahzada Khan; Wai-Yeung Wong
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 9
• Pages of publication: o4082 - o4083
• a: 9.1942 ± 0.0008 Å
• b: 5.7823 ± 0.0005 Å
• c: 23.126 ± 0.002 Å
• α: 90°
• β: 96.398 ± 0.002°
• γ: 90°
• Cell volume: 1221.8 ± 0.18 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.05
• Residual factor for significantly intense reflections: 0.043
• Weighted residual factors for significantly intense reflections: 0.114
• Weighted residual factors for all reflections included in the refinement: 0.121
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes