Information card for entry 7112993

Structure parameters

• Formula: C40 H52 N5 Nb O2
• Calculated formula: C40 H52 N5 Nb O2
• SMILES: [Nb]12(OC(=[N]2c2c(c(ccc2)C)c2c(N=C(O1)c1c(cc(cc1C)C)C)cccc2C)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: 9.757 ± 0.002 Å
• b: 12.302 ± 0.003 Å
• c: 15.936 ± 0.003 Å
• α: 98.091 ± 0.003°
• β: 103.416 ± 0.004°
• γ: 90.473 ± 0.004°
• Cell volume: 1840.4 ± 0.7 ų
• Cell temperature: 113 ± 2 K
• Ambient diffraction temperature: 113 ± 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: 0.0343
• Residual factor for significantly intense reflections: 0.0309
• Weighted residual factors for significantly intense reflections: 0.0814
• Weighted residual factors for all reflections included in the refinement: 0.0827
• Goodness-of-fit parameter for all reflections included in the refinement: 1.094
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No