Information card for entry 7235247

Structure parameters

• Formula: C14 H13 N O2
• Calculated formula: C14 H13 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: 11.241 ± 0.003 Å
• b: 5.7323 ± 0.0017 Å
• c: 17.696 ± 0.005 Å
• α: 90°
• β: 97.712 ± 0.005°
• γ: 90°
• Cell volume: 1130 ± 0.6 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 7
• Hermann-Mauguin space group symbol: P 1 n 1
• Hall space group symbol: P -2yac
• Residual factor for all reflections: 0.047
• Residual factor for significantly intense reflections: 0.0397
• Weighted residual factors for significantly intense reflections: 0.0945
• Weighted residual factors for all reflections included in the refinement: 0.0981
• Goodness-of-fit parameter for all reflections included in the refinement: 1.059
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No