Information card for entry 4078298

Structure parameters

• Formula: C20 H31 N O2 Ru
• Calculated formula: C20 H31 N O2 Ru
• SMILES: [Ru]123456([N]#CC)([CH2]=[C]1([C]2(=[CH]3CCC(=O)OC)C)C)[CH]1=[CH]4CC[CH]5=[CH]6CC1
• Title of publication: Stoichiometric and Catalytic Cross Dimerization between Conjugated Dienes and Conjugated Carbonyls by a Ruthenium(0) Complex: Straightforward Access to Unsaturated Carbonyl Compounds by an Oxidative Coupling Mechanism
• Authors of publication: Hirano, Masafumi; Arai, Yasutomo; Hamamura, Yuka; Komine, Nobuyuki; Komiya, Sanshiro
• Journal of publication: Organometallics
• Year of publication: 2012
• Journal volume: 31
• Journal issue: 10
• Pages of publication: 4006
• a: 8.464 ± 0.003 Å
• b: 10.961 ± 0.003 Å
• c: 11.182 ± 0.003 Å
• α: 84.032 ± 0.01°
• β: 86.657 ± 0.011°
• γ: 69.827 ± 0.006°
• Cell volume: 968.2 ± 0.5 ų
• Cell temperature: 200 K
• Ambient diffraction temperature: 200 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: 0.0401
• Weighted residual factors for all reflections included in the refinement: 0.1183
• Goodness-of-fit parameter for all reflections included in the refinement: 1.227
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No