Information card for entry 1546031

Structure parameters

• Formula: C21 H19 N O
• Calculated formula: C21 H19 N O
• SMILES: N1(CC(c2ccccc12)(C)C)C(=O)c1cccc2ccccc12
• Title of publication: Intramolecular, Site-Selective, Iodine-Mediated, Amination of Unactivated (sp(3))C-H Bonds for the Synthesis of Indoline Derivatives.
• Authors of publication: Long, Jinguo; Cao, Xin; Zhu, Longzhi; Qiu, Renhua; Au, Chak-Tong; Yin, Shuang-Feng; Iwasaki, Takanori; Kambe, Nobuaki
• Journal of publication: Organic letters
• Year of publication: 2017
• Journal volume: 19
• Journal issue: 11
• Pages of publication: 2793 - 2796
• a: 10.0738 ± 0.0019 Å
• b: 7.7949 ± 0.0015 Å
• c: 20.89 ± 0.004 Å
• α: 90°
• β: 99.429 ± 0.004°
• γ: 90°
• Cell volume: 1618.2 ± 0.5 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• 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: 0.0994
• Residual factor for significantly intense reflections: 0.0511
• Weighted residual factors for significantly intense reflections: 0.1309
• Weighted residual factors for all reflections included in the refinement: 0.1513
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No