Information card for entry 1508954

Structure parameters

• Formula: C17 H22 N2 O2
• Calculated formula: C17 H22 N2 O2
• SMILES: N12N(C(=O)CC2(C)C)C(=C\CCC)/c2ccccc2C1O
• 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: 11.0475 ± 0.0003 Å
• b: 8.7287 ± 0.0002 Å
• c: 16.2757 ± 0.0006 Å
• α: 90°
• β: 98.023 ± 0.003°
• γ: 90°
• Cell volume: 1554.11 ± 0.08 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/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0557
• Residual factor for significantly intense reflections: 0.0402
• Weighted residual factors for significantly intense reflections: 0.1134
• Weighted residual factors for all reflections included in the refinement: 0.1219
• Goodness-of-fit parameter for all reflections included in the refinement: 1.053
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No