Information card for entry 4036017

Structure parameters

• Formula: C17 H24 N2 O3
• Calculated formula: C17 H24 N2 O3
• SMILES: O(C(=O)/N=C(N1CCOCC1)\c1ccc(C)cc1)C(C)(C)C
• Title of publication: A Metal-Free Three-Component Reaction of trans-β-Nitrostyrene Derivatives, Dibromo Amides, and Amines Leading to Functionalized Amidines.
• Authors of publication: Zhou, Meng; Li, Jinlei; Tian, Chao; Sun, Xiao; Zhu, Xiaoting; Cheng, Yaohang; An, Guanghui; Li, Guangming
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2019
• Journal volume: 84
• Journal issue: 2
• Pages of publication: 1015 - 1024
• a: 7.153 ± 0.005 Å
• b: 13.527 ± 0.005 Å
• c: 19.62 ± 0.005 Å
• α: 90°
• β: 109.92 ± 0.015°
• γ: 90°
• Cell volume: 1784.8 ± 1.5 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: 0.0794
• Residual factor for significantly intense reflections: 0.0589
• Weighted residual factors for significantly intense reflections: 0.1418
• Weighted residual factors for all reflections included in the refinement: 0.1595
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No