Information card for entry 1568469

Structure parameters

• Formula: C18 H25 Al N2
• Calculated formula: C18 H25 Al N2
• SMILES: [Al]1([n]2ccccc2C(N1c1c(cccc1C)C)(C)C)(C)C
• Title of publication: Pyridine-amido aluminum catalyst precursors for 1,3-butadiene transition-metal-free stereospecific polymerization
• Authors of publication: Tang, Jian; Xu, Zijian; Liu, Zelong; Fu, Yuan; Hua, Jing
• Journal of publication: Polymer Chemistry
• Year of publication: 2023
• Journal volume: 14
• Journal issue: 8
• Pages of publication: 980 - 989
• a: 8.8305 ± 0.0014 Å
• b: 12.0231 ± 0.0019 Å
• c: 16.87 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1791.1 ± 0.5 ų
• Cell temperature: 298.15 K
• Ambient diffraction temperature: 298.15 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: 0.1579
• Residual factor for significantly intense reflections: 0.0567
• Weighted residual factors for significantly intense reflections: 0.1001
• Weighted residual factors for all reflections included in the refinement: 0.1251
• Goodness-of-fit parameter for all reflections included in the refinement: 1.002
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No