Information card for entry 4075470

Structure parameters

• Formula: C45 H73 F3 N2 O3 S Ti
• Calculated formula: C45 H61 F3 N2 O3 S 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: 15.2449 ± 0.0017 Å
• b: 20.245 ± 0.002 Å
• c: 17.852 ± 0.002 Å
• α: 90°
• β: 115.068 ± 0.003°
• γ: 90°
• Cell volume: 4990.7 ± 0.9 ų
• Cell temperature: 128 ± 2 K
• Ambient diffraction temperature: 128 ± 2 K
• Number of distinct elements: 7
• 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: 0.1254
• Residual factor for significantly intense reflections: 0.0545
• Weighted residual factors for significantly intense reflections: 0.1366
• Weighted residual factors for all reflections included in the refinement: 0.1569
• Goodness-of-fit parameter for all reflections included in the refinement: 0.851
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No