Information card for entry 7112990

Structure parameters

• Formula: C46 H52 N5 O2 Ta
• Calculated formula: C46 H52 N5 O2 Ta
• SMILES: [Ta]12(N(c3c(c4c(cc3)cccc4)c3c(N=C(O2)c2c(cc(cc2C)C)C)ccc2c3cccc2)C(=[O]1)c1c(cc(cc1C)C)C)(N(C)C)(N(C)C)N(C)C
• 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: 11.687 ± 0.002 Å
• b: 13.451 ± 0.003 Å
• c: 13.686 ± 0.003 Å
• α: 90°
• β: 108.63 ± 0.03°
• γ: 90°
• Cell volume: 2038.7 ± 0.8 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: 0.0359
• Residual factor for significantly intense reflections: 0.0351
• Weighted residual factors for significantly intense reflections: 0.0843
• Weighted residual factors for all reflections included in the refinement: 0.0849
• Goodness-of-fit parameter for all reflections included in the refinement: 1.116
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No