Information card for entry 7112991

Structure parameters

• Formula: C46 H60 N5 Nb O2
• Calculated formula: C46 H60 N5 Nb O2
• Title of publication: Highly enantioselective hydroaminoalkylation of secondary amines catalyzed by group 5 metal amides with chiral biarylamidate ligands.
• Authors of publication: Zi, Guofu; Zhang, Furen; Song, Haibin
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2010
• Journal volume: 46
• Journal issue: 34
• Pages of publication: 6296 - 6298
• a: 11.934 ± 0.002 Å
• b: 14.079 ± 0.003 Å
• c: 13.534 ± 0.002 Å
• α: 90°
• β: 111.011 ± 0.009°
• γ: 90°
• Cell volume: 2122.8 ± 0.7 ų
• Cell temperature: 113 ± 2 K
• Ambient diffraction temperature: 113 ± 2 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0399
• Residual factor for significantly intense reflections: 0.0369
• Weighted residual factors for significantly intense reflections: 0.1003
• Weighted residual factors for all reflections included in the refinement: 0.1241
• Goodness-of-fit parameter for all reflections included in the refinement: 1.18
• Diffraction radiation wavelength: 1.54187 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No