Information card for entry 1512066

Structure parameters

• Formula: C20 H22 Ru
• Calculated formula: C20 H22 Ru
• SMILES: [Ru]12345678([cH]9[cH]1[cH]2[cH]3[c]14cccc[c]591)[C]1(=[CH]6C[C@@H]2[CH]7=[CH]8C[C@H]1C2)C.[Ru]12345678([cH]9[cH]1[cH]2[cH]3[c]14cccc[c]591)[C]1(=[CH]6C[C@H]2[CH]7=[CH]8C[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: 10.3078 ± 0.0006 Å
• b: 10.4979 ± 0.0004 Å
• c: 14.5178 ± 0.0012 Å
• α: 90°
• β: 109.452 ± 0.003°
• γ: 90°
• Cell volume: 1481.3 ± 0.16 ų
• Cell temperature: 200 K
• Ambient diffraction temperature: 200 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for significantly intense reflections: 0.0467
• Weighted residual factors for all reflections included in the refinement: 0.1448
• Goodness-of-fit parameter for all reflections included in the refinement: 0.909
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No