Information card for entry 4107991

Structure parameters

• Formula: C15 H28 N2 O2
• Calculated formula: C15 H28 N2 O2
• SMILES: O=C1N([C@@H]([C@H](N1C(C)(C)C)[C@H](O)C)C=C)C(C)(C)C
• Title of publication: Catalytic Asymmetric Allylic and Homoallylic Diamination of Terminal Olefins via Formal C-H Activation
• Authors of publication: Haifeng Du; Baoguo Zhao; Yian Shi
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2008
• Journal volume: 130
• Pages of publication: 8590 - 8591
• a: 7.4727 ± 0.0003 Å
• b: 12.8011 ± 0.0005 Å
• c: 17.0678 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1632.68 ± 0.11 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0728
• Residual factor for significantly intense reflections: 0.0517
• Weighted residual factors for significantly intense reflections: 0.1293
• Weighted residual factors for all reflections included in the refinement: 0.1432
• Goodness-of-fit parameter for all reflections included in the refinement: 1.058
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No