Information card for entry 1554773

Structure parameters

• Formula: C49.05 H59.38 Cl5.87 Li0.15 N3 P3 Ti2
• Calculated formula: C49.0508 H59.377 Cl5.8696 Li0.145 N3 P3 Ti2
• Title of publication: Allylic aminations with hindered secondary amine nucleophiles catalyzed by heterobimetallic Pd-Ti complexes.
• Authors of publication: Walker, Whitney K.; Anderson, Diana L.; Stokes, Ryjul W.; Smith, Stacey J.; Michaelis, David J.
• Journal of publication: Organic letters
• Year of publication: 2015
• Journal volume: 17
• Journal issue: 3
• Pages of publication: 752 - 755
• a: 10.3083 ± 0.0006 Å
• b: 14.3567 ± 0.0007 Å
• c: 19.2355 ± 0.001 Å
• α: 75.287 ± 0.003°
• β: 74.747 ± 0.003°
• γ: 84.913 ± 0.003°
• Cell volume: 2655.7 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0484
• Residual factor for significantly intense reflections: 0.043
• Weighted residual factors for significantly intense reflections: 0.1133
• Weighted residual factors for all reflections included in the refinement: 0.1166
• Goodness-of-fit parameter for all reflections included in the refinement: 1.084
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No