Information card for entry 4071688

Structure parameters

• Formula: C17 H21 Cl2 N Ti
• Calculated formula: C17 H21 Cl2 N Ti
• SMILES: [Ti]12345(Cl)(Cl)[c]6([c]2(C)[c]4([c]5(C)[c]36c2c(N1CC)cccc2)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: 13.201 Å
• b: 14.92 Å
• c: 17.373 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3421.77 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 61
• Hermann-Mauguin space group symbol: P c a b
• Hall space group symbol: -P 2bc 2ac
• Residual factor for all reflections: 0.0249
• Residual factor for significantly intense reflections: 0.023
• Weighted residual factors for significantly intense reflections: 0.0626
• Weighted residual factors for all reflections included in the refinement: 0.0638
• Goodness-of-fit parameter for all reflections included in the refinement: 1.075
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No