Information card for entry 4132001

Structure parameters

• Chemical name: N-triphenylsilylimidobis(N-2,6-diisopropylphenylbenzamido)pyridine titanium(IV)
• Formula: C244 H256 N16 O8 Si4 Ti4
• Calculated formula: C244 H256 N16 O8 Si4 Ti4
• Title of publication: Regio- and Stereoselective Hydroamination of Alkynes Using an Ammonia Surrogate: Synthesis of N-Silylenamines as Reactive Synthons.
• Authors of publication: Lui, Erica K. J.; Brandt, Jason W.; Schafer, Laurel L.
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2018
• Journal volume: 140
• Journal issue: 15
• Pages of publication: 4973 - 4976
• a: 12.843 Å
• b: 20.558 Å
• c: 23.39 Å
• α: 72.79°
• β: 77.72°
• γ: 72.76°
• Cell volume: 5580.91 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0556
• Residual factor for significantly intense reflections: 0.0396
• Weighted residual factors for significantly intense reflections: 0.0965
• Weighted residual factors for all reflections included in the refinement: 0.1046
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No