Information card for entry 4071687

Structure parameters

• Formula: C26 H29 N Ti
• Calculated formula: C26 H29 N Ti
• SMILES: [Ti]12345(N(c6ccccc6[c]61[c]12[c]3(cccc1)[c]14cccc[c]561)CC(C)(C)C)(C)C
• Title of publication: CO2-Mediatedortho-Lithiation ofN-Alkylanilines and Its Use for the Construction of Polymerization Catalysts
• Authors of publication: Wu, Chun Ji; Lee, Sang Hoon; Yu, Seung Tack; Na, Sung Jae; Yun, Hoseop; Lee, Bun Yeoul
• Journal of publication: Organometallics
• Year of publication: 2008
• Journal volume: 27
• Journal issue: 15
• Pages of publication: 3907
• a: 15.263 ± 0.002 Å
• b: 9.5695 ± 0.0013 Å
• c: 16.15 ± 0.002 Å
• α: 90°
• β: 113.963 ± 0.004°
• γ: 90°
• Cell volume: 2155.5 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0928
• Residual factor for significantly intense reflections: 0.0714
• Weighted residual factors for significantly intense reflections: 0.1773
• Weighted residual factors for all reflections included in the refinement: 0.1991
• Goodness-of-fit parameter for all reflections included in the refinement: 1.129
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No