Information card for entry 7121594

Structure parameters

• Formula: C15 H18 N2 O
• Calculated formula: C15 H18 N2 O
• Title of publication: Tandem cyclization of o-alkynylanilines with isocyanides triggered by intramolecular nucleopalladation: access to heterocyclic fused 2-aminoquinolines.
• Authors of publication: Wu, Wanqing; Li, Meng; Zheng, Jia; Hu, Weigao; Li, Chunsheng; Jiang, Huanfeng
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2018
• Journal volume: 54
• Journal issue: 50
• Pages of publication: 6855 - 6858
• a: 20.1725 ± 0.0015 Å
• b: 7.0286 ± 0.0005 Å
• c: 8.788 ± 0.0007 Å
• α: 90°
• β: 92.475 ± 0.007°
• γ: 90°
• Cell volume: 1244.84 ± 0.16 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 K
• Number of distinct elements: 4
• Space group number: 12
• Hermann-Mauguin space group symbol: C 1 2/m 1
• Hall space group symbol: -C 2y
• Residual factor for all reflections: 0.0453
• Residual factor for significantly intense reflections: 0.0428
• Weighted residual factors for significantly intense reflections: 0.1069
• Weighted residual factors for all reflections included in the refinement: 0.1088
• Goodness-of-fit parameter for all reflections included in the refinement: 1.085
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No