Information card for entry 1512073

Structure parameters

• Formula: C18 H24 O5 Ru
• Calculated formula: C18 H24 O5 Ru
• SMILES: [Ru]12345([O]=C(C)C=C(O1)C)(OC(=CC(=[O]2)C)C)[CH]1=[CH]3[C@@H]2O[C@@H]([CH]5=[CH]4C2)C1.[Ru]12345([O]=C(C)C=C(O1)C)(OC(=CC(=[O]2)C)C)[CH]1=[CH]3[C@H]2O[C@H]([CH]5=[CH]4C2)C1
• 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: 7.8627 ± 0.0013 Å
• b: 9.8754 ± 0.0016 Å
• c: 11.834 ± 0.002 Å
• α: 84.958 ± 0.007°
• β: 78.458 ± 0.005°
• γ: 72.093 ± 0.005°
• Cell volume: 856.3 ± 0.2 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: 0.0365
• Weighted residual factors for all reflections included in the refinement: 0.1203
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No