Information card for entry 1512071

Structure parameters

• Formula: C20 H28 O4 Ru
• Calculated formula: C20 H28 O4 Ru
• SMILES: [Ru]12345([O]=C(C)C=C(O1)C)(OC(=CC(=[O]2)C)C)[C]1(=[CH]3C[C@@H]2[CH]4=[CH]5C[C@H]1C2)C
• 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: 16.6226 ± 0.0013 Å
• b: 8.1062 ± 0.0004 Å
• c: 21.4226 ± 0.0012 Å
• α: 90°
• β: 92.615 ± 0.004°
• γ: 90°
• Cell volume: 2883.6 ± 0.3 ų
• Cell temperature: 200 K
• Ambient diffraction temperature: 200 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for significantly intense reflections: 0.0375
• Weighted residual factors for all reflections included in the refinement: 0.1016
• Goodness-of-fit parameter for all reflections included in the refinement: 0.874
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No