Information card for entry 4037307

Structure parameters

• Formula: C23 H19 N3 O2
• Calculated formula: C23 H19 N3 O2
• SMILES: O1CCN(c2c([nH]c3c2cccc3c2ncccc2)c2ccc(cc2)C)C1=O
• Title of publication: Gold-Catalyzed β-Regioselective Formal [3 + 2] Cycloaddition of Ynamides with Pyrido[1,2-b]indazoles: Reaction Development and Mechanistic Insights.
• Authors of publication: Yu, Yinghua; Chen, Gui; Zhu, Lei; Liao, Yun; Wu, Yufeng; Huang, Xueliang
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2016
• Journal volume: 81
• Journal issue: 18
• Pages of publication: 8142 - 8154
• a: 9.0639 ± 0.0018 Å
• b: 17.086 ± 0.003 Å
• c: 12.365 ± 0.003 Å
• α: 90°
• β: 109.34 ± 0.03°
• γ: 90°
• Cell volume: 1806.9 ± 0.7 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: 0.0657
• Residual factor for significantly intense reflections: 0.0455
• Weighted residual factors for significantly intense reflections: 0.126
• Weighted residual factors for all reflections included in the refinement: 0.1374
• Goodness-of-fit parameter for all reflections included in the refinement: 1.006
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No