Information card for entry 4109546

Structure parameters

• Formula: C26 H46 N4 O2
• Calculated formula: C26 H46 N4 O2
• SMILES: O=C1N([C@@H]([C@H](N1C(C)(C)C)[C@H]1N(C(=O)N([C@@H]1C=C)C(C)(C)C)C(C)(C)C)C=C)C(C)(C)C.O=C1N([C@H]([C@@H](N1C(C)(C)C)C=C)[C@@H]1N(C(=O)N([C@H]1C=C)C(C)(C)C)C(C)(C)C)C(C)(C)C
• Title of publication: A Pd(0)-Catalyzed Diamination of Terminal Olefins at Allylic and Homoallylic Carbons via Formal C-H Activation under Solvent-Free Conditions
• Authors of publication: Haifeng Du; Weicheng Yuan; Baoguo Zhao; Yian Shi
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2007
• Journal volume: 129
• Pages of publication: 7496 - 7497
• a: 17.64 Å
• b: 17.3703 ± 0.0012 Å
• c: 17.6396 ± 0.0013 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5405 ± 0.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.1831
• Residual factor for significantly intense reflections: 0.0583
• Weighted residual factors for significantly intense reflections: 0.106
• Weighted residual factors for all reflections included in the refinement: 0.1471
• Goodness-of-fit parameter for all reflections included in the refinement: 0.632
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No