Information card for entry 7116798

Structure parameters

• Formula: C36 H51 N O2 Zr
• Calculated formula: C36 H51 N O2 Zr
• SMILES: [Zr]12([O](C[C@@H](N2Cc2cc(cc(c2O1)C(C)(C)C)C(C)(C)C)C(C)C)CC)(Cc1ccccc1)Cc1ccccc1
• Title of publication: Asymmetric hydroamination catalyzed by a new chiral zirconium system: reaction scope and mechanism
• Authors of publication: Xiaoguang Zhou; Bing Wei; Xiu-Li Sun; Yong Tang; Zuowei Xie
• Journal of publication: Chem.Commun.
• Year of publication: 2015
• Journal volume: 51
• Pages of publication: 5751
• a: 10.82 ± 0.006 Å
• b: 11.235 ± 0.007 Å
• c: 15.074 ± 0.009 Å
• α: 90°
• β: 110.637 ± 0.012°
• γ: 90°
• Cell volume: 1714.9 ± 1.8 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.1468
• Residual factor for significantly intense reflections: 0.0636
• Weighted residual factors for significantly intense reflections: 0.1527
• Weighted residual factors for all reflections included in the refinement: 0.2144
• Goodness-of-fit parameter for all reflections included in the refinement: 0.83
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No