Information card for entry 2204651

Structure parameters

• Chemical name: 5-(2-Furyl)-3-hydroxy-1-phenylpenta-2,4-dien-1-one
• Formula: C15 H12 O3
• Calculated formula: C15 H12 O3
• SMILES: O=C(/C=C(O)/C=C/c1occc1)c1ccccc1
• Title of publication: 5-(2-Furyl)-3-hydroxy-1-phenylpenta-2,4-dien-1-one
• Authors of publication: Arrieta, Antonio F.; Mostad, Arvid
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2004
• Journal volume: 60
• Journal issue: 12
• Pages of publication: o2444 - o2446
• a: 11.0108 ± 0.0006 Å
• b: 7.8652 ± 0.0004 Å
• c: 27.999 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2424.8 ± 0.2 ų
• Cell temperature: 105 ± 2 K
• Ambient diffraction temperature: 105 ± 2 K
• Number of distinct elements: 3
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0678
• Residual factor for significantly intense reflections: 0.0302
• Weighted residual factors for significantly intense reflections: 0.0586
• Weighted residual factors for all reflections included in the refinement: 0.0615
• Goodness-of-fit parameter for all reflections included in the refinement: 0.742
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes