Information card for entry 2233720

Structure parameters

• Chemical name: (<i>E</i>)-<i>N</i>-Butyl-3-(3,4-dihydroxyphenyl)acrylamide monohydrate
• Formula: C13 H18 N O3.5
• Calculated formula: C13 H18 N O3.5
• Title of publication: (<i>E</i>)-<i>N</i>-Butyl-3-(3,4-dihydroxyphenyl)acrylamide hemihydrate
• Authors of publication: Han, Yan; Hao, Mi-Hua
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 3
• Pages of publication: o727
• a: 12.86 ± 0.007 Å
• b: 14.928 ± 0.008 Å
• c: 15.015 ± 0.011 Å
• α: 90°
• β: 113.967 ± 0.006°
• γ: 90°
• Cell volume: 2634 ± 3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0586
• Residual factor for significantly intense reflections: 0.0417
• Weighted residual factors for significantly intense reflections: 0.1073
• Weighted residual factors for all reflections included in the refinement: 0.12
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes