Information card for entry 7133348

Structure parameters

• Formula: C39 H53 N3 Ti
• Calculated formula: C39 H53 N3 Ti
• Title of publication: Coordination-induced reductive elimination from a titanium(IV) complex.
• Authors of publication: Fritsche, Paul; Geyer, Lucia; Czernetzki, Corinna; Hierlmeier, Gabriele
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2024
• Journal volume: 60
• Journal issue: 68
• Pages of publication: 9030 - 9033
• a: 11.0602 ± 0.0002 Å
• b: 12.062 ± 0.0002 Å
• c: 14.3315 ± 0.0003 Å
• α: 77.339 ± 0.002°
• β: 77.207 ± 0.002°
• γ: 70.619 ± 0.001°
• Cell volume: 1736.62 ± 0.06 ų
• Cell temperature: 100.01 ± 0.11 K
• Ambient diffraction temperature: 100.01 ± 0.11 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.029
• Residual factor for significantly intense reflections: 0.0287
• Weighted residual factors for significantly intense reflections: 0.0803
• Weighted residual factors for all reflections included in the refinement: 0.0805
• Goodness-of-fit parameter for all reflections included in the refinement: 1.097
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No