Information card for entry 2212870

Structure parameters

• Common name: 2,2-Dimethyl-N-[3-(3,4,5-trimethoxybenzoyl)pyridin-4-yl]propanamide
• Formula: C20 H24 N2 O5
• Calculated formula: C20 H24 N2 O5
• SMILES: c1(cc(c(c(c1)OC)OC)OC)C(=O)c1cnccc1NC(=O)C(C)(C)C
• Title of publication: 2,2-Dimethyl-<i>N</i>-[3-(3,4,5-trimethoxybenzoyl)pyridin-4-yl]propanamide
• Authors of publication: Katrin Kinkel; Stefan Laufer; Schollmeyer, Dieter; Christian Peifer
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 4
• Pages of publication: o1887 - o1889
• a: 11.5962 ± 0.0004 Å
• b: 13.8654 ± 0.0003 Å
• c: 24.0393 ± 0.0009 Å
• α: 90°
• β: 94.9946 ± 0.0018°
• γ: 90°
• Cell volume: 3850.5 ± 0.2 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 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: 0.0508
• Residual factor for significantly intense reflections: 0.0478
• Weighted residual factors for significantly intense reflections: 0.1505
• Weighted residual factors for all reflections included in the refinement: 0.1536
• Goodness-of-fit parameter for all reflections included in the refinement: 1.104
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes