Information card for entry 4104309

Structure parameters

• Formula: C17 H24 Ti
• Calculated formula: C17 H24 Ti
• Title of publication: Charge Density Analysis of the (C-C)\ρightarrowTi Agostic Interactions in a Titanacyclobutane Complex
• Authors of publication: Stephan Scheins; Marc Messerschmidt; Milan Gembicky; Mateusz Pitak; Anatoliy Volkov; Philip Coppens; Benjamin G. Harvey; Gregory C. Turpin; Atta M. Arif; Richard D. Ernst
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2009
• Journal volume: 131
• Pages of publication: 6154 - 6160
• a: 23.2455 ± 0.0004 Å
• b: 8.1765 ± 0.0001 Å
• c: 15.5145 ± 0.0003 Å
• α: 90°
• β: 99.6491 ± 0.0003°
• γ: 90°
• Cell volume: 2907.07 ± 0.08 ų
• Cell temperature: 90 ± 1 K
• Ambient diffraction temperature: 90 ± 1 K
• Number of distinct elements: 3
• 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: 0.0253
• Residual factor for significantly intense reflections: 0.0113
• Weighted residual factors for all reflections included in the refinement: 0.01
• Goodness-of-fit parameter for all reflections included in the refinement: 1.8177
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No