Information card for entry 7160903

Structure parameters

• Formula: C17 H21 N3
• Calculated formula: C17 H21 N3
• Title of publication: Nickel-Catalyzed Isocyanide Insertion Reaction with Aromatic Amines: Direct Access to Open-Chain Guanidines
• Authors of publication: Zheng, Zhe; Ma, Hongqiang; Jin, Hongwei; Zhou, Bingwei; Hu, Yuanyuan
• Journal of publication: Organic & Biomolecular Chemistry
• Year of publication: 2025
• a: 5.9783 ± 0.001 Å
• b: 10.038 ± 0.002 Å
• c: 25.696 ± 0.005 Å
• α: 90.518 ± 0.008°
• β: 91.336 ± 0.007°
• γ: 93.881 ± 0.007°
• Cell volume: 1538 ± 0.5 ų
• Cell temperature: 223 K
• Ambient diffraction temperature: 223 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1241
• Residual factor for significantly intense reflections: 0.1013
• Weighted residual factors for significantly intense reflections: 0.274
• Weighted residual factors for all reflections included in the refinement: 0.2901
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0559
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No