Information card for entry 1503640

Structure parameters

• Formula: C20 H25 N3 O3
• Calculated formula: C20 H25 N3 O3
• SMILES: [nH]1cnc(O)c(c1=O)C(CC(=O)NC1CCCCC1)c1ccc(cc1)C
• Title of publication: Microwave-assisted combinatorial synthesis of new 3-pyrimidin-5-ylpropanamides via a solvent-dependent chemoselective reaction.
• Authors of publication: Hao, Wen-Juan; Jiang, Bo; Tu, Shu-Jiang; Wu, Shan-Shan; Han, Zheng-Guo; Cao, Xu-Dong; Zhang, Xiao-Hong; Yan, Shu; Shi, Feng
• Journal of publication: Journal of combinatorial chemistry
• Year of publication: 2009
• Journal volume: 11
• Journal issue: 2
• Pages of publication: 310 - 314
• a: 7.1563 ± 0.0012 Å
• b: 19.637 ± 0.002 Å
• c: 13.2746 ± 0.0018 Å
• α: 90°
• β: 101.74 ± 0.002°
• γ: 90°
• Cell volume: 1826.4 ± 0.4 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 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: 0.0961
• Residual factor for significantly intense reflections: 0.0476
• Weighted residual factors for significantly intense reflections: 0.0926
• Weighted residual factors for all reflections included in the refinement: 0.1042
• Goodness-of-fit parameter for all reflections included in the refinement: 1.016
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No