Information card for entry 7152000

Structure parameters

• Formula: C43 H44 N4 Ni O6 S
• Calculated formula: C43.5 H43.5 N4 Ni O6.25 S
• Title of publication: Asymmetric synthesis of α,β-diamino acid derivates via Mannich-type reactions of a chiral Ni(ii) complex of glycine with N-tosyl imines.
• Authors of publication: Song, Guowei; Jin, Meihong; Li, Zhenjiang; Ouyang, Pingkai
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2011
• Journal volume: 9
• Journal issue: 20
• Pages of publication: 7144 - 7150
• a: 9.859 ± 0.002 Å
• b: 17.767 ± 0.004 Å
• c: 12.361 ± 0.003 Å
• α: 90°
• β: 91.25 ± 0.03°
• γ: 90°
• Cell volume: 2164.7 ± 0.8 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.1003
• Residual factor for significantly intense reflections: 0.0678
• Weighted residual factors for significantly intense reflections: 0.1661
• Weighted residual factors for all reflections included in the refinement: 0.1919
• Goodness-of-fit parameter for all reflections included in the refinement: 1.065
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No