Information card for entry 1566745

Structure parameters

• Formula: C77 H89 Ni O3 P2
• Calculated formula: C77 H89 Ni O3 P2
• Title of publication: Nickel-Catalyzed Skeletal Transformation of Tropone Derivatives via C–C Bond Activation: Catalyst-Controlled Access to Diverse Ring Systems
• Authors of publication: Kodama, Takuya; Saito, Kanako; Tobisu, Mamoru
• Journal of publication: Chemical Science
• Year of publication: 2022
• a: 10.9952 ± 0.0002 Å
• b: 14.137 ± 0.0002 Å
• c: 21.6909 ± 0.0003 Å
• α: 104.76 ± 0.001°
• β: 97.213 ± 0.001°
• γ: 100.584 ± 0.001°
• Cell volume: 3151.76 ± 0.09 ų
• Cell temperature: 123 K
• Ambient diffraction temperature: 123 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0863
• Residual factor for significantly intense reflections: 0.0728
• Weighted residual factors for significantly intense reflections: 0.2025
• Weighted residual factors for all reflections included in the refinement: 0.2335
• Goodness-of-fit parameter for all reflections included in the refinement: 1.126
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No