Information card for entry 1512065

Structure parameters

• Formula: C19 H20 Ru
• Calculated formula: C19 H20 Ru
• SMILES: [Ru]12345678([cH]9[c]%104cccc[c]5%10[cH]3[cH]2[cH]19)[CH]1=[CH]6[C@H]2C[CH]7=[CH]8[C@@H](C1)C2.[Ru]12345678([cH]9[c]%104cccc[c]5%10[cH]3[cH]2[cH]19)[CH]1=[CH]6[C@@H]2C[CH]7=[CH]8[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: 7.349 ± 0.005 Å
• b: 9.997 ± 0.007 Å
• c: 10.881 ± 0.007 Å
• α: 108.638 ± 0.009°
• β: 94.822 ± 0.003°
• γ: 106.72 ± 0.008°
• Cell volume: 711.7 ± 0.8 ų
• Cell temperature: 200 K
• Ambient diffraction temperature: 200 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for significantly intense reflections: 0.0549
• Weighted residual factors for all reflections included in the refinement: 0.1357
• Goodness-of-fit parameter for all reflections included in the refinement: 1.062
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No