Information card for entry 1553442

Structure parameters

• Formula: C20 H24 N2
• Calculated formula: C20 H24 N2
• SMILES: c1(ccccc1)N1C(CC(C(=N1)C)(C)C)Cc1ccccc1
• Title of publication: Hydroamination of alkenyl N-arylhydrazones mediated by t-BuOK for the synthesis of nitrogen heterocycles
• Authors of publication: Peng, Xingao; Kaga, Atsushi; Hirao, Hajime; Chiba, Shunsuke
• Journal of publication: Organic Chemistry Frontiers
• Year of publication: 2016
• Journal volume: 3
• Journal issue: 5
• Pages of publication: 609
• a: 13.1094 ± 0.0007 Å
• b: 8.943 ± 0.0005 Å
• c: 14.6031 ± 0.0009 Å
• α: 90°
• β: 105.214 ± 0.002°
• γ: 90°
• Cell volume: 1652.03 ± 0.16 ų
• Cell temperature: 103 ± 2 K
• Ambient diffraction temperature: 103 ± 2 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.053
• Residual factor for significantly intense reflections: 0.0421
• Weighted residual factors for significantly intense reflections: 0.1089
• Weighted residual factors for all reflections included in the refinement: 0.1168
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No