Information card for entry 4037055

Structure parameters

• Formula: C60.5 H57 Br Cl7 N6 Ni O4 P
• Calculated formula: C60.5 H57 Br Cl7 N6 Ni O4 P
• Title of publication: Asymmetric Synthesis of Chiral α-Methyl-α,β-diamino Acid Derivatives via Group-Assisted Purification Chemistry Using N-Phosphonyl Imines and a Ni(II)-Complexed Alanine Schiff Base.
• Authors of publication: Zhang, Haowei; Yang, Bing; Yang, Zhen; Lu, Hongjian; Li, Guigen
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2016
• Journal volume: 81
• Journal issue: 17
• Pages of publication: 7654 - 7661
• a: 15.6549 ± 0.0014 Å
• b: 18.478 ± 0.0018 Å
• c: 21.6785 ± 0.0019 Å
• α: 90°
• β: 96.588 ± 0.001°
• γ: 90°
• Cell volume: 6229.6 ± 1 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 8
• Space group number: 5
• Hermann-Mauguin space group symbol: C 1 2 1
• Hall space group symbol: C 2y
• Residual factor for all reflections: 0.1712
• Residual factor for significantly intense reflections: 0.0807
• Weighted residual factors for significantly intense reflections: 0.1826
• Weighted residual factors for all reflections included in the refinement: 0.2071
• Goodness-of-fit parameter for all reflections included in the refinement: 1.073
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No