Information card for entry 8103072

Structure parameters

• Formula: C11 H13 N O3
• Calculated formula: C11 H13 N O3
• SMILES: N(CC)C(=O)/C=C/c1cc(c(cc1)O)O
• Title of publication: Crystal structure of(E)-3-(3,4-dihydroxyphenyl)-N-ethylacrylamide, C11H13NO3, a caffeic acid imide
• Authors of publication: Fa-Yan Meng; Bing-Li Jiang; Li Wang; Cui-Wu Lin
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2011
• Journal volume: 226
• Journal issue: 1
• Pages of publication: 83
• a: 6.78 ± 0.002 Å
• b: 11.397 ± 0.003 Å
• c: 13.849 ± 0.004 Å
• α: 90°
• β: 96.743 ± 0.004°
• γ: 90°
• Cell volume: 1062.7 ± 0.5 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• 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: 0.047
• Residual factor for significantly intense reflections: 0.039
• Weighted residual factors for significantly intense reflections: 0.1126
• Weighted residual factors for all reflections included in the refinement: 0.1172
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No