Information card for entry 1512070

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.[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: 7.8164 ± 0.0017 Å
• b: 14.895 ± 0.004 Å
• c: 16.387 ± 0.004 Å
• α: 90°
• β: 92.68 ± 0.003°
• γ: 90°
• Cell volume: 1905.8 ± 0.8 ų
• Cell temperature: 200 K
• Ambient diffraction temperature: 200 K
• Number of distinct elements: 4
• 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: 0.0375
• Weighted residual factors for all reflections included in the refinement: 0.1118
• Goodness-of-fit parameter for all reflections included in the refinement: 0.851
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No