Information card for entry 2241664

Structure parameters

• Chemical name: <i>N</i>-(6,6-Diethoxyhexyl)-3,4,5-trimethoxybenzamide
• Formula: C20 H33 N O6
• Calculated formula: C20 H33 N O6
• SMILES: O(c1cc(cc(OC)c1OC)C(=O)NCCCCCC(OCC)OCC)C
• Title of publication: Crystal structures of three 3,4,5-trimethoxybenzamide-based derivatives
• Authors of publication: Gomes, Ligia R.; Low, John Nicolson; Oliveira, Catarina; Cagide, Fernando; Borges, Fernanda
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2016
• Journal volume: 72
• Journal issue: 5
• Pages of publication: 675 - 682
• a: 24.6345 ± 0.0018 Å
• b: 8.4646 ± 0.0005 Å
• c: 10.0598 ± 0.0007 Å
• α: 90°
• β: 100.851 ± 0.002°
• γ: 90°
• Cell volume: 2060.2 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0384
• Residual factor for significantly intense reflections: 0.0349
• Weighted residual factors for significantly intense reflections: 0.0921
• Weighted residual factors for all reflections included in the refinement: 0.095
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes