Information card for entry 2230292

Structure parameters

• Chemical name: (<i>Z</i>)-2-(2-Hydroxy-4-methoxybenzylidene)-1-benzofuran-3(2<i>H</i>)-one
• Formula: C16 H12 O4
• Calculated formula: C16 H12 O4
• SMILES: c12ccccc1C(=O)/C(=C/c1ccc(cc1O)OC)O2
• Title of publication: (<i>Z</i>)-2-(2-Hydroxy-4-methoxybenzylidene)-1-benzofuran-3(2<i>H</i>)-one
• Authors of publication: Satyanarayana Reddy, J.; Ravi Kumar, N.; Venkata Prasad, J.; Gopikrishna, G.; Anand Solomon, K.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 6
• Pages of publication: o1330
• a: 7.1083 ± 0.0004 Å
• b: 12.7072 ± 0.0007 Å
• c: 14.4024 ± 0.0008 Å
• α: 90°
• β: 100.161 ± 0.002°
• γ: 90°
• Cell volume: 1280.52 ± 0.12 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.1126
• Residual factor for significantly intense reflections: 0.0524
• Weighted residual factors for significantly intense reflections: 0.1225
• Weighted residual factors for all reflections included in the refinement: 0.1497
• Goodness-of-fit parameter for all reflections included in the refinement: 1.021
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes