Information card for entry 7124919

Structure parameters

• Formula: C13 H9 F3 N2 O
• Calculated formula: C13 H9 F3 N2 O
• Title of publication: Copper(i)-catalysed oxidative C-N coupling of 2-aminopyridine with terminal alkynes featuring a C[triple bond, length as m-dash]C bond cleavage promoted by visible light.
• Authors of publication: Ragupathi, Ayyakkannu; Sagadevan, Arunachalam; Lin, Chun-Cheng; Hwu, Jih-Ru; Hwang, Kuo Chu
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2016
• Journal volume: 52
• Journal issue: 79
• Pages of publication: 11756 - 11759
• a: 5.617 ± 0.0011 Å
• b: 7.3899 ± 0.0016 Å
• c: 14.156 ± 0.003 Å
• α: 75.267 ± 0.013°
• β: 80.383 ± 0.012°
• γ: 88.88 ± 0.013°
• Cell volume: 560.1 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1601
• Residual factor for significantly intense reflections: 0.123
• Weighted residual factors for significantly intense reflections: 0.3629
• Weighted residual factors for all reflections included in the refinement: 0.4026
• Goodness-of-fit parameter for all reflections included in the refinement: 1.378
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No