Information card for entry 4132002

Structure parameters

• Chemical name: Bis(N-2,6-diisopropylphenylbenzamidate)(N-tertbutyldimethylsilylimido)pyridine titanium (IV)
• Formula: C52 H71 N4 O2 Si Ti
• Calculated formula: C52 H71 N4 O2 Si Ti
• 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: 12.8621 ± 0.001 Å
• b: 21.1899 ± 0.0017 Å
• c: 18.839 ± 0.0015 Å
• α: 90°
• β: 104.842 ± 0.002°
• γ: 90°
• Cell volume: 4963.2 ± 0.7 ų
• Cell temperature: 90 K
• Ambient diffraction temperature: 90 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0605
• Residual factor for significantly intense reflections: 0.0427
• Weighted residual factors for significantly intense reflections: 0.1056
• Weighted residual factors for all reflections included in the refinement: 0.1155
• Goodness-of-fit parameter for all reflections included in the refinement: 1.012
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No