Information card for entry 7235248

Structure parameters

• Formula: C18 H15 N O2
• Calculated formula: C18 H15 N O2
• Title of publication: Visible light-promoted copper catalyzed regioselective acetamidation of terminal alkynes by arylamines
• Authors of publication: Pampana, V. Kishore Kumar; Sagadevan, Arunachalam; Ragupathi, Ayyakkannu; Hwang, Kuo Chu
• Journal of publication: Green Chemistry
• Year of publication: 2020
• Journal volume: 22
• Journal issue: 4
• Pages of publication: 1164 - 1170
• a: 12.2746 ± 0.0008 Å
• b: 9.2499 ± 0.0006 Å
• c: 14.751 ± 0.0009 Å
• α: 90°
• β: 100.612 ± 0.002°
• γ: 90°
• Cell volume: 1646.17 ± 0.18 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0781
• Residual factor for significantly intense reflections: 0.0592
• Weighted residual factors for significantly intense reflections: 0.1182
• Weighted residual factors for all reflections included in the refinement: 0.1274
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No