Information card for entry 4068741

Structure parameters

• Formula: C33 H40 N6 Ti
• Calculated formula: C33 H40 N6 Ti
• SMILES: [Ti]1([N](c2c(c3c(cc2)cccc3)c2c(N(C)C)ccc3c2cccc3)=Cc2n1ccc2)(N(C)C)(N(C)C)N(C)C
• Title of publication: Synthesis of Group 4 Metal Amides with New Chiral Biaryldiamine-Based Ligands and Their Use as Catalysts for Asymmetric Hydroamination/Cyclization
• Authors of publication: Zi, Guofu; Liu, Xue; Xiang, Li; Song, Haibin
• Journal of publication: Organometallics
• Year of publication: 2009
• Journal volume: 28
• Journal issue: 4
• Pages of publication: 1127
• a: 8.7454 ± 0.0011 Å
• b: 18.336 ± 0.002 Å
• c: 19.675 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3155 ± 0.6 ų
• Cell temperature: 113 ± 2 K
• Ambient diffraction temperature: 113 ± 2 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: 0.095
• Residual factor for significantly intense reflections: 0.0827
• Weighted residual factors for significantly intense reflections: 0.1907
• Weighted residual factors for all reflections included in the refinement: 0.1975
• Goodness-of-fit parameter for all reflections included in the refinement: 1.14
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No