Information card for entry 2223338

Structure parameters

• Chemical name: (2<i>E</i>)-1-(4-Aminophenyl)-3-(2-thienyl)prop-2-en-1-one ethanol hemisolvate
• Formula: C14 H14 N O1.5 S
• Calculated formula: C14.006 H14 N O1.5 S
• Title of publication: (2<i>E</i>)-1-(4-Aminophenyl)-3-(2-thienyl)prop-2-en-1-one ethanol hemisolvate
• Authors of publication: Fun, Hoong-Kun; Kobkeatthawin, Thawanrat; Chantrapromma, Suchada
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 10
• Pages of publication: o2532 - o2533
• a: 5.1413 ± 0.0001 Å
• b: 13.9754 ± 0.0002 Å
• c: 18.2647 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1312.35 ± 0.03 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0647
• Residual factor for significantly intense reflections: 0.0609
• Weighted residual factors for significantly intense reflections: 0.1995
• Weighted residual factors for all reflections included in the refinement: 0.2051
• Goodness-of-fit parameter for all reflections included in the refinement: 1.085
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes