Information card for entry 7156288

Structure parameters

• Formula: C36 H40 Cl N3 Ni O4
• Calculated formula: C36 H40 Cl N3 Ni O4
• Title of publication: Second-order asymmetric transformation and its application for the practical synthesis of α-amino acids.
• Authors of publication: Takeda, Ryosuke; Kawamura, Akie; Kawashima, Aki; Sato, Tatsunori; Moriwaki, Hiroki; Izawa, Kunisuke; Abe, Hidenori; Soloshonok, Vadim A.
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2018
• Journal volume: 16
• Journal issue: 27
• Pages of publication: 4968 - 4972
• a: 6.2383 ± 0.0001 Å
• b: 15.367 ± 0.0002 Å
• c: 32.9494 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3158.66 ± 0.08 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0308
• Residual factor for significantly intense reflections: 0.0288
• Weighted residual factors for significantly intense reflections: 0.0691
• Weighted residual factors for all reflections included in the refinement: 0.0702
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No