Information card for entry 2222396

Structure parameters

• Chemical name: (<i>E</i>)-3-(4-Chlorophenyl)-2-phenylprop-2-enoic acid
• Formula: C15 H11 Cl O2
• Calculated formula: C15 H11 Cl O2
• SMILES: Clc1ccc(/C=C(c2ccccc2)/C(=O)O)cc1
• Title of publication: (<i>E</i>)-3-(4-Chlorophenyl)-2-phenylprop-2-enoic acid
• Authors of publication: Sadiq-ur-Rehman; Ali, Saqib; Shahzadi, Saira; Parvez, Masood
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 7
• Pages of publication: o1562
• a: 14.405 ± 0.003 Å
• b: 5.733 ± 0.009 Å
• c: 15.416 ± 0.009 Å
• α: 90°
• β: 100.72 ± 0.03°
• γ: 90°
• Cell volume: 1251 ± 2 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1346
• Residual factor for significantly intense reflections: 0.0474
• Weighted residual factors for significantly intense reflections: 0.0956
• Weighted residual factors for all reflections included in the refinement: 0.1298
• Goodness-of-fit parameter for all reflections included in the refinement: 0.96
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes