Information card for entry 4127462

Structure parameters

• Formula: C17 H24 N2
• Calculated formula: C17 H24 N2
• SMILES: c12c(n(C(C)(C)C)cc2)cccc1N1CCCCC1
• Title of publication: Synthesis of C4-Aminated Indoles via a Catellani and Retro-Diels-Alder Strategy.
• Authors of publication: Zhang, Bo-Sheng; Li, Yuke; Zhang, Zhe; An, Yang; Wen, Yu-Hua; Gou, Xue-Ya; Quan, Si-Qi; Wang, Xin-Gang; Liang, Yong-Min
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2019
• Journal volume: 141
• Journal issue: 24
• Pages of publication: 9731 - 9738
• a: 7.1517 ± 0.0004 Å
• b: 9.9719 ± 0.0007 Å
• c: 21.5377 ± 0.0013 Å
• α: 90°
• β: 98.474 ± 0.006°
• γ: 90°
• Cell volume: 1519.21 ± 0.17 ų
• Cell temperature: 292.27 ± 0.1 K
• Ambient diffraction temperature: 292.27 ± 0.1 K
• Number of distinct elements: 3
• 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: 0.1142
• Residual factor for significantly intense reflections: 0.0657
• Weighted residual factors for significantly intense reflections: 0.1517
• Weighted residual factors for all reflections included in the refinement: 0.1812
• Goodness-of-fit parameter for all reflections included in the refinement: 1.076
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No