Information card for entry 1512068

Structure parameters

• Formula: C19 H26 O4 Ru
• Calculated formula: C19 H26 O4 Ru
• SMILES: [Ru]12345([O]=C(C)C=C(O1)C)([O]=C(C)C=C(O2)C)[CH]1=[CH]3[C@H]2C[CH]4=[CH]5[C@@H](C1)C2.[Ru]12345([O]=C(C)C=C(O1)C)([O]=C(C)C=C(O2)C)[CH]1=[CH]3[C@@H]2C[CH]4=[CH]5[C@H](C1)C2
• Title of publication: Asymmetric Cross-Dimerization between Methyl Methacrylate and Substituted Alkene by Ru(0)‒Bicyclononadiene Complex
• Authors of publication: Hiroi, Yuki; Komine, Nobuyuki; Komiya, Sanshiro; Hirano, Masafumi
• Journal of publication: Organic Letters
• Year of publication: 2013
• Journal volume: 15
• Journal issue: 10
• Pages of publication: 2486
• a: 7.804 ± 0.003 Å
• b: 10.072 ± 0.004 Å
• c: 12.89 ± 0.005 Å
• α: 83.87 ± 0.018°
• β: 75.728 ± 0.014°
• γ: 70.527 ± 0.011°
• Cell volume: 925.4 ± 0.6 ų
• Cell temperature: 200 K
• Ambient diffraction temperature: 200 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for significantly intense reflections: 0.0403
• Weighted residual factors for all reflections included in the refinement: 0.115
• Goodness-of-fit parameter for all reflections included in the refinement: 0.967
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No