Information card for entry 7125300

Structure parameters

• Formula: C15 H10 N2
• Calculated formula: C15 H10 N2
• Title of publication: CuI-Catalyzed intramolecular aminocyanation of terminal alkynes in N-(2-ethynylphenyl)-N-sulfonylcyanamides via Cu-vinylidene intermediates.
• Authors of publication: Liao, Zhen-Yuan; Liao, Pen-Yuan; Chien, Tun-Cheng
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2016
• Journal volume: 52
• Journal issue: 100
• Pages of publication: 14404 - 14407
• a: 13.936 ± 0.007 Å
• b: 7.077 ± 0.003 Å
• c: 22.807 ± 0.01 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2249.3 ± 1.8 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 3
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.1301
• Residual factor for significantly intense reflections: 0.0582
• Weighted residual factors for significantly intense reflections: 0.1137
• Weighted residual factors for all reflections included in the refinement: 0.1461
• Goodness-of-fit parameter for all reflections included in the refinement: 0.976
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No