Information card for entry 7250912

Structure parameters

• Formula: C41 H40 N4 Ni O4
• Calculated formula: C41 H40 N4 Ni O4
• Title of publication: A³-Mannich coupling reaction <i>via</i> chiral propargylglycine Ni(ii) complex: an approach for synthesizing enantiomerically enriched unnatural α-amino acids.
• Authors of publication: Hayriyan, Liana; Grigoryan, Anna; Gevorgyan, Hasmik; Tsaturyan, Avetis; Sargsyan, Armen; Langer, Peter; Saghyan, Ashot; Mkrtchyan, Anna
• Journal of publication: RSC advances
• Year of publication: 2025
• Journal volume: 15
• Journal issue: 42
• Pages of publication: 35379 - 35387
• a: 9.27604 ± 0.00011 Å
• b: 9.63867 ± 0.00013 Å
• c: 38.6709 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3457.51 ± 0.08 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• 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: 0.0273
• Residual factor for significantly intense reflections: 0.0265
• Weighted residual factors for significantly intense reflections: 0.0675
• Weighted residual factors for all reflections included in the refinement: 0.0678
• Goodness-of-fit parameter for all reflections included in the refinement: 1.097
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No