Information card for entry 4071346

Structure parameters

• Formula: C53 H61 N5 Ti
• Calculated formula: C53 H61 N5 Ti
• Title of publication: Insertions into Azatitanacyclobutenes: New Insights into Three-Component Coupling Reactions Involving Imidotitanium Intermediates
• Authors of publication: Vujkovic, Nadia; Fillol, Julio Lloret; Ward, Benjamin D.; Wadepohl, Hubert; Mountford, Philip; Gade, Lutz H.
• Journal of publication: Organometallics
• Year of publication: 2008
• Journal volume: 27
• Journal issue: 11
• Pages of publication: 2518
• a: 11.434 ± 0.002 Å
• b: 14.483 ± 0.003 Å
• c: 14.939 ± 0.003 Å
• α: 95.761 ± 0.004°
• β: 103.409 ± 0.004°
• γ: 108.459 ± 0.003°
• Cell volume: 2241.8 ± 0.8 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 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: 0.0433
• Residual factor for significantly intense reflections: 0.0377
• Weighted residual factors for significantly intense reflections: 0.1081
• Weighted residual factors for all reflections included in the refinement: 0.1127
• Goodness-of-fit parameter for all reflections included in the refinement: 1.101
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No