Information card for entry 7133345

Structure parameters

• Formula: C37 H39 N3 Ti
• Calculated formula: C37 H39 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: 16.6089 ± 0.0002 Å
• b: 14.6227 ± 0.0002 Å
• c: 24.9167 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 6051.44 ± 0.13 ų
• Cell temperature: 100.01 ± 0.1 K
• Ambient diffraction temperature: 100.01 ± 0.1 K
• Number of distinct elements: 4
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0458
• Residual factor for significantly intense reflections: 0.0386
• Weighted residual factors for significantly intense reflections: 0.1062
• Weighted residual factors for all reflections included in the refinement: 0.1103
• Goodness-of-fit parameter for all reflections included in the refinement: 1.085
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No