Information card for entry 2218427

Structure parameters

• Chemical name: (<i>E</i>)-4-(4-Fluorostyryl)benzoic acid
• Formula: C15 H11 F O2
• Calculated formula: C15 H11 F O2
• SMILES: C(=O)(O)c1ccc(cc1)/C=C/c1ccc(cc1)F
• Title of publication: (<i>E</i>)-4-(4-Fluorostyryl)benzoic acid
• Authors of publication: Nazir, Saba; Muhammad, Khushi; Khawar Rauf, M.; Ebihara, Masahiro; Hameed, Shahid
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 6
• Pages of publication: o1013
• a: 6.261 ± 0.004 Å
• b: 23.096 ± 0.015 Å
• c: 8.269 ± 0.005 Å
• α: 90°
• β: 107.072 ± 0.008°
• γ: 90°
• Cell volume: 1143 ± 1.3 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 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: 0.0717
• Residual factor for significantly intense reflections: 0.0647
• Weighted residual factors for significantly intense reflections: 0.1508
• Weighted residual factors for all reflections included in the refinement: 0.1549
• Goodness-of-fit parameter for all reflections included in the refinement: 1.161
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes