Information card for entry 1555728

Structure parameters

• Formula: C20 H19 N3 O2
• Calculated formula: C20 H19 N3 O2
• SMILES: c1cccc(C(=O)Nc2cccc3c2c(ccc3)N2CCOCC2)n1
• Title of publication: Palladium-Catalyzed Regioselective C8-H Amination of 1-Naphthylamine Derivatives with Aliphatic Amines.
• Authors of publication: Li, Zexian; Sun, Suyan; Qiao, Huijie; Yang, Fan; Zhu, Yu; Kang, Jianxun; Wu, Yusheng; Wu, Yangjie
• Journal of publication: Organic letters
• Year of publication: 2016
• Journal volume: 18
• Journal issue: 18
• Pages of publication: 4594 - 4597
• a: 8.9053 ± 0.0011 Å
• b: 9.1342 ± 0.0011 Å
• c: 10.3857 ± 0.0012 Å
• α: 85.819 ± 0.01°
• β: 88.672 ± 0.01°
• γ: 77.281 ± 0.011°
• Cell volume: 821.86 ± 0.17 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0806
• Residual factor for significantly intense reflections: 0.052
• Weighted residual factors for significantly intense reflections: 0.1486
• Weighted residual factors for all reflections included in the refinement: 0.1756
• Goodness-of-fit parameter for all reflections included in the refinement: 1.013
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No