Information card for entry 4074094

Structure parameters

• Formula: C21 H23 N Ti
• Calculated formula: C21 H23 N Ti
• SMILES: [Ti]12345(N6C(CCc7cccc(c67)[c]61[cH]2[cH]3[c]14[c]56cccc1)C)(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: 15.4701 ± 0.0017 Å
• b: 14.6775 ± 0.0014 Å
• c: 15.8899 ± 0.0014 Å
• α: 90°
• β: 103.832 ± 0.003°
• γ: 90°
• Cell volume: 3503.4 ± 0.6 ų
• Cell temperature: 150 ± 1 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0952
• Residual factor for significantly intense reflections: 0.0679
• Weighted residual factors for significantly intense reflections: 0.1692
• Weighted residual factors for all reflections included in the refinement: 0.1886
• Goodness-of-fit parameter for all reflections included in the refinement: 1.053
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No