Information card for entry 4519139

Structure parameters

• Formula: C26 H25 F N2 O5
• Calculated formula: C26 H25 F N2 O5
• SMILES: Fc1cc2c(N(C(=O)OC34CC5CC(C3)CC(C4)C5)C(=O)[C@@]2(N(=O)=O)Cc2ccccc2)cc1
• Title of publication: Ni(II)-Catalyzed Asymmetric Nitration of Oxindoles: Construction of Cipargamin Analogues
• Authors of publication: Lv, Mingjun; Li, Xiaoxun
• Journal of publication: ACS Catalysis
• Year of publication: 2021
• Pages of publication: 14829 - 14835
• a: 8.7046 ± 0.0003 Å
• b: 11.9983 ± 0.0004 Å
• c: 11.516 ± 0.0004 Å
• α: 90°
• β: 100.577 ± 0.003°
• γ: 90°
• Cell volume: 1182.3 ± 0.07 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: 0.0744
• Residual factor for significantly intense reflections: 0.0663
• Weighted residual factors for significantly intense reflections: 0.1535
• Weighted residual factors for all reflections included in the refinement: 0.1627
• Goodness-of-fit parameter for all reflections included in the refinement: 1.055
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No