Information card for entry 1508953

Structure parameters

• Formula: C20 H26 N2 O2
• Calculated formula: C20 H26 N2 O2
• SMILES: C1C(C)(C)N2C(CC(=O)C)c3c(C(=C\CCC)\N2C1=O)cccc3
• Title of publication: Silver(I)-catalyzed addition-cyclization of alkyne-functionalized azomethines.
• Authors of publication: Liu, Yuchen; Zhen, Wencui; Dai, Wei; Wang, Fen; Li, Xingwei
• Journal of publication: Organic letters
• Year of publication: 2013
• Journal volume: 15
• Journal issue: 4
• Pages of publication: 874 - 877
• a: 13.5018 ± 0.0009 Å
• b: 16.1917 ± 0.0012 Å
• c: 8.5746 ± 0.0006 Å
• α: 90°
• β: 96.006 ± 0.002°
• γ: 90°
• Cell volume: 1864.3 ± 0.2 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.0657
• Residual factor for significantly intense reflections: 0.0582
• Weighted residual factors for significantly intense reflections: 0.1821
• Weighted residual factors for all reflections included in the refinement: 0.1903
• Goodness-of-fit parameter for all reflections included in the refinement: 1.099
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No