Information card for entry 2237688

Structure parameters

• Chemical name: (2<i>E</i>,5<i>E</i>)-2,5-Bis(4-hydroxy-3-methoxybenzylidene)cyclopentanone ethanol monosolvate
• Formula: C23 H26 O6
• Calculated formula: C23 H26 O6
• SMILES: O=C1/C(=C/c2cc(OC)c(O)cc2)CCC\1=C/c1cc(OC)c(O)cc1.OCC
• Title of publication: (2<i>E</i>,5<i>E</i>)-2,5-Bis(4-hydroxy-3-methoxybenzylidene)cyclopentanone ethanol monosolvate
• Authors of publication: Da'i, Muhammad; Yanuar, Arry; Meiyanto, Edy; Jenie, Umar Anggara; Supardjan, Amir Margono
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2013
• Journal volume: 69
• Journal issue: 4
• Pages of publication: o530
• a: 8.88 ± 0.004 Å
• b: 17.05 ± 0.005 Å
• c: 13.95 ± 0.005 Å
• α: 90°
• β: 103.527 ± 0.014°
• γ: 90°
• Cell volume: 2053.5 ± 1.3 ų
• Cell temperature: 296 K
• Ambient diffraction temperature: 296 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: 0.1752
• Residual factor for significantly intense reflections: 0.0698
• Weighted residual factors for significantly intense reflections: 0.1233
• Weighted residual factors for all reflections included in the refinement: 0.1569
• Goodness-of-fit parameter for all reflections included in the refinement: 1.004
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes