Information card for entry 2234919

Structure parameters

• Chemical name: <i>N</i>-Hexyl-3-(4-hydroxy-3,5-dimethoxyphenyl)propanamide
• Formula: C17 H27 N O4
• Calculated formula: C17 H27 N O4
• SMILES: N(C(=O)CCc1cc(OC)c(O)c(OC)c1)CCCCCC
• Title of publication: <i>N</i>-Hexyl-3-(4-hydroxy-3,5-dimethoxyphenyl)propanamide
• Authors of publication: Andrade, L. C. R.; Paixão, J. A.; de Almeida, M. J. M.; Tavares da Silva, E. J.; Fernandes Roleira, F. M.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 6
• Pages of publication: o1603 - o1604
• a: 19.1126 ± 0.0005 Å
• b: 8.4086 ± 0.0002 Å
• c: 11.0715 ± 0.0003 Å
• α: 90°
• β: 91.5691 ± 0.0015°
• γ: 90°
• Cell volume: 1778.64 ± 0.08 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0912
• Residual factor for significantly intense reflections: 0.0479
• Weighted residual factors for significantly intense reflections: 0.1414
• Weighted residual factors for all reflections included in the refinement: 0.1724
• Goodness-of-fit parameter for all reflections included in the refinement: 0.993
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes