Information card for entry 4074095

Structure parameters

• Formula: C24 H23 N Ti
• Calculated formula: C24 H23 N Ti
• SMILES: [Ti]12345(N6CCCc7cccc(c67)[c]61[c]12cccc[c]31[c]14cccc[c]561)(C)C
• Title of publication: Ortho Lithiation of Tetrahydroquinoline Derivatives and Its Use for the Facile Construction of Polymerization Catalysts
• Authors of publication: Wu, Chun Ji; Lee, Sang Hoon; Yun, Hoseop; Lee, Bun Yeoul
• Journal of publication: Organometallics
• Year of publication: 2007
• Journal volume: 26
• Journal issue: 27
• Pages of publication: 6685
• a: 12.4129 ± 0.0003 Å
• b: 12.45 ± 0.0003 Å
• c: 14.4623 ± 0.0004 Å
• α: 68.4935 ± 0.0007°
• β: 68.3872 ± 0.0007°
• γ: 73.8696 ± 0.0007°
• Cell volume: 1906.68 ± 0.08 ų
• Cell temperature: 150 ± 1 K
• Ambient diffraction temperature: 150 ± 1 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0519
• Residual factor for significantly intense reflections: 0.038
• Weighted residual factors for significantly intense reflections: 0.1066
• Weighted residual factors for all reflections included in the refinement: 0.1188
• Goodness-of-fit parameter for all reflections included in the refinement: 1.109
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No