Information card for entry 2212882

Structure parameters

• Chemical name: 3-(2-Furyl)-2-phenylpropenoic acid
• Formula: C13 H10 O3
• Calculated formula: C13 H10 O3
• SMILES: OC(=O)/C(=C/c1occc1)c1ccccc1
• Title of publication: 3-(2-Furyl)-2-phenylpropenoic acid
• Authors of publication: Sadiq-ur-Rehman; Shahzadi, Saira; Ali, Saqib; Parvez, Masood
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 4
• Pages of publication: o1532 - o1533
• a: 8.682 ± 0.001 Å
• b: 23.961 ± 0.005 Å
• c: 10.939 ± 0.002 Å
• α: 90°
• β: 106.603 ± 0.013°
• γ: 90°
• Cell volume: 2180.8 ± 0.7 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 3
• 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: 0.081
• Residual factor for significantly intense reflections: 0.045
• Weighted residual factors for significantly intense reflections: 0.105
• Weighted residual factors for all reflections included in the refinement: 0.121
• Goodness-of-fit parameter for all reflections included in the refinement: 1.01
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes