Information card for entry 2228779

Structure parameters

• Common name: (3<i>E</i>,5<i>E</i>)-3,5-bis(4-hydroxybenzylidene)-tetrahydropyran-4-one
• Chemical name: (3<i>E</i>,5<i>E</i>)-3,5-Bis(4-hydroxybenzylidene)oxan-4-one
• Formula: C19 H16 O4
• Calculated formula: C19 H16 O4
• SMILES: C1(=O)C(=C\c2ccc(cc2)O)\COCC\1=C/c1ccc(cc1)O
• Title of publication: (3<i>E</i>,5<i>E</i>)-3,5-Bis(4-hydroxybenzylidene)oxan-4-one
• Authors of publication: Du, Zhi-Yun; Huang, Hua-Rong; Lu, Yu-Jun; Zhang, Kun; Fang, Yan-Xiong
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 1
• Pages of publication: o116
• a: 11.812 ± 0.003 Å
• b: 7.4687 ± 0.0016 Å
• c: 33.233 ± 0.007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2931.8 ± 1.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.09
• Residual factor for significantly intense reflections: 0.0453
• Weighted residual factors for significantly intense reflections: 0.105
• Weighted residual factors for all reflections included in the refinement: 0.124
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes