Information card for entry 4110608

Structure parameters

• Formula: C27 H49 Ni O P
• Calculated formula: C27 H49 Ni O P
• SMILES: [Ni]123([P](C4CCCCC4)(C4CCCCC4)C4CCCCC4)OC(C[C]3(=[C]2(C1)C)C)(C)C
• Title of publication: Reversible Carbon-Carbon Bond Formation between 1,3-Dienes and Aldehyde or Ketone on Nickel(0)
• Authors of publication: Sensuke Ogoshi; Kei-ichi Tonomori; Masa-aki Oka; Hideo Kurosawa
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2006
• Journal volume: 128
• Pages of publication: 7077 - 7086
• a: 17.232 ± 0.0005 Å
• b: 9.8036 ± 0.0002 Å
• c: 17.3024 ± 0.0005 Å
• α: 90°
• β: 70.274 ± 0.0005°
• γ: 90°
• Cell volume: 2751.46 ± 0.13 ų
• Cell temperature: 273.1 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for significantly intense reflections: 0.089
• Weighted residual factors for all reflections included in the refinement: 0.097
• Goodness-of-fit parameter for all reflections included in the refinement: 5.905
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No