Information card for entry 4109544

Structure parameters

• Formula: C28 H50 N4 O2
• Calculated formula: C28 H50 N4 O2
• SMILES: [C@H]1([C@H](N(C(=O)N1C(C)(C)C)C(C)(C)C)C=C)CC[C@H]1[C@@H](N(C(=O)N1C(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: 10.4248 ± 0.0004 Å
• b: 12.8075 ± 0.0004 Å
• c: 11.7988 ± 0.0004 Å
• α: 90°
• β: 112.968 ± 0.002°
• γ: 90°
• Cell volume: 1450.44 ± 0.09 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: 0.0874
• Residual factor for significantly intense reflections: 0.052
• Weighted residual factors for significantly intense reflections: 0.1199
• Weighted residual factors for all reflections included in the refinement: 0.1377
• Goodness-of-fit parameter for all reflections included in the refinement: 1.006
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No