Information card for entry 4111949

Structure parameters

• Formula: C34 H47 Ni O P
• Calculated formula: C34 H47 Ni O P
• SMILES: [Ni]123([P](C4CCCCC4)(C4CCCCC4)C4CCCCC4)[O]=[C]3(c3c(C[CH]2=[CH2]1)cccc3)c1ccccc1
• Title of publication: AlMe3-Promoted Oxidative Cyclization of η2-Alkene and η2-Ketone on Nickel(0). Observation of Intermediate in Methyl Transfer Process
• Authors of publication: Sensuke Ogoshi; Mizu Ueta; Tomoya Arai; Hideo Kurosawa
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2005
• Journal volume: 127
• Pages of publication: 12810 - 12811
• a: 10.479 ± 0.001 Å
• b: 10.8719 ± 0.0009 Å
• c: 15.033 ± 0.002 Å
• α: 89.295 ± 0.003°
• β: 86.88 ± 0.002°
• γ: 61.205 ± 0.003°
• Cell volume: 1498.5 ± 0.3 ų
• Cell temperature: 273.1 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: 0.095
• Weighted residual factors for all reflections included in the refinement: 0.079
• Goodness-of-fit parameter for all reflections included in the refinement: 19.951
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No