Information card for entry 4135373

Structure parameters

• Formula: C20 H25 N3 O2
• Calculated formula: C20 H25 N3 O2
• Title of publication: NiH-Catalyzed Proximal-Selective Hydroamination of Unactivated Alkenes.
• Authors of publication: Jeon, Jinwon; Lee, Changseok; Seo, Huiyeong; Hong, Sungwoo
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2020
• Journal volume: 142
• Journal issue: 48
• Pages of publication: 20470 - 20480
• a: 12.1484 ± 0.0005 Å
• b: 12.2854 ± 0.0005 Å
• c: 24.5486 ± 0.0009 Å
• α: 90°
• β: 98.0774 ± 0.0014°
• γ: 90°
• Cell volume: 3627.5 ± 0.2 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.0922
• Residual factor for significantly intense reflections: 0.0695
• Weighted residual factors for significantly intense reflections: 0.137
• Weighted residual factors for all reflections included in the refinement: 0.1463
• Goodness-of-fit parameter for all reflections included in the refinement: 1.138
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No