Information card for entry 4101596

Structure parameters

• Formula: C22.5 H30 N2 Ni O3
• Calculated formula: C22.5 H30 N2 Ni O3
• Title of publication: Nickel-Catalyzed {[}4+2] Cycloaddition of Enones with Alkynes
• Authors of publication: Koyama, Ichiro; Kurahashi, Takuya; Matsubara, Seijiro
• Journal of publication: JOURNAL OF THE AMERICAN CHEMICAL SOCIETY
• Year of publication: 2009
• Journal volume: 131
• Journal issue: 4
• Pages of publication: 1350
• a: 10.5195 ± 0.0018 Å
• b: 10.9929 ± 0.0017 Å
• c: 11.5575 ± 0.0015 Å
• α: 66.224 ± 0.008°
• β: 67.551 ± 0.008°
• γ: 76.882 ± 0.009°
• Cell volume: 1126.2 ± 0.3 ų
• Cell temperature: 153.1 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 significantly intense reflections: 0.0528
• Weighted residual factors for all reflections included in the refinement: 0.1608
• Goodness-of-fit parameter for all reflections included in the refinement: 1.147
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No