Information card for entry 4075468

Structure parameters

• Formula: C43 H71 N2 Ti
• Calculated formula: C43 H71 N2 Ti
• Title of publication: Oxidatively Induced α-Hydrogen Abstraction. A Mild Protocol to Generate Terminal Titanium Alkylidenes Containing a β-Hydrogen
• Authors of publication: Bailey, Brad C.; Basuli, Falguni; Huffman, John C.; Mindiola, Daniel J.
• Journal of publication: Organometallics
• Year of publication: 2006
• Journal volume: 25
• Journal issue: 16
• Pages of publication: 3963
• a: 28.3795 ± 0.0014 Å
• b: 12.6335 ± 0.0007 Å
• c: 24.976 ± 0.0013 Å
• α: 90°
• β: 114.676 ± 0.001°
• γ: 90°
• Cell volume: 8137 ± 0.7 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 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: 0.0566
• Residual factor for significantly intense reflections: 0.0387
• Weighted residual factors for significantly intense reflections: 0.1041
• Weighted residual factors for all reflections included in the refinement: 0.1123
• Goodness-of-fit parameter for all reflections included in the refinement: 1.012
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No