Information card for entry 7120188

Structure parameters

• Formula: C17 H18 N4 O
• Calculated formula: C17 H18 N4 O
• SMILES: O=C(Nc1ccc(c2cccnc12)n1nccc1)C(C)(C)C
• Title of publication: Coordination strategy induced selective C-H amination of 8-animoquinolines
• Authors of publication: Yi, Hong; Chen, Hong; Bian, Changliang; Tang, Zilu; Singh, Atul K.; Qi, Xiaotian; Yue, Xiaoyu; Lan, Yu; Lee, Jyh-Fu; Lei, Aiwen
• Journal of publication: Chem. Commun.
• Year of publication: 2017
• a: 7.4064 ± 0.0007 Å
• b: 21.498 ± 0.002 Å
• c: 10.1255 ± 0.001 Å
• α: 90°
• β: 107.8 ± 0.002°
• γ: 90°
• Cell volume: 1535 ± 0.3 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/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1046
• Residual factor for significantly intense reflections: 0.0501
• Weighted residual factors for significantly intense reflections: 0.1275
• Weighted residual factors for all reflections included in the refinement: 0.1536
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No