Information card for entry 4072847

Structure parameters

• Common name: in_paper_4
• Formula: C50 H53 N2 O2.5 Ti
• Calculated formula: C50 H53 N2 O2.5 Ti
• Title of publication: Structure−Activity Relationships for Group 4 Biaryl Amidate Complexes in Catalytic Hydroamination/Cyclization of Aminoalkenes
• Authors of publication: Gott, Andrew L.; Clarke, Adam J.; Clarkson, Guy J.; Scott, Peter
• Journal of publication: Organometallics
• Year of publication: 2007
• Journal volume: 26
• Journal issue: 7
• Pages of publication: 1729
• a: 10.8209 ± 0.001 Å
• b: 11.0568 ± 0.0011 Å
• c: 19.0122 ± 0.0018 Å
• α: 98.658 ± 0.006°
• β: 97.596 ± 0.006°
• γ: 108.308 ± 0.006°
• Cell volume: 2095.6 ± 0.4 ų
• Cell temperature: 180 ± 2 K
• Ambient diffraction temperature: 180 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0729
• Residual factor for significantly intense reflections: 0.0548
• Weighted residual factors for significantly intense reflections: 0.1408
• Weighted residual factors for all reflections included in the refinement: 0.154
• Goodness-of-fit parameter for all reflections included in the refinement: 1.051
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No