Information card for entry 2231049

Structure parameters

• Common name: phenyl-4-hydroxycoumarinchalcone
• Chemical name: 4-Hydroxy-3-[(<i>E</i>)-3-phenylprop-2-enoyl]-2<i>H</i>-chromen-2-one
• Formula: C18 H12 O4
• Calculated formula: C18 H12 O4
• SMILES: OC1c2ccccc2OC(=O)C=1C(=O)\C=C\c1ccccc1
• Title of publication: 4-Hydroxy-3-[(<i>E</i>)-3-phenylprop-2-enoyl]-2<i>H</i>-chromen-2-one
• Authors of publication: Ghouili, Afef; Ben Hassen, Rached
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 8
• Pages of publication: o2209
• a: 11.804 ± 0.0005 Å
• b: 3.886 ± 0.0005 Å
• c: 29.719 ± 0.0005 Å
• α: 90°
• β: 97.164 ± 0.005°
• γ: 90°
• Cell volume: 1352.58 ± 0.19 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 3
• 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: 0.1738
• Residual factor for significantly intense reflections: 0.0692
• Weighted residual factors for significantly intense reflections: 0.1768
• Weighted residual factors for all reflections included in the refinement: 0.2996
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes