Information card for entry 1512072

Structure parameters

• Formula: C21 H30 O4 Ru
• Calculated formula: C21 H30 O4 Ru
• SMILES: [Ru]12345([O]=C(C)C=C(O1)C)([O]=C(C)C=C(O2)C)[CH]1=[C]3([C@H]2C[CH]4=[C]5([C@@H](C1)C2)C)C.[Ru]12345([O]=C(C)C=C(O1)C)([O]=C(C)C=C(O2)C)[CH]1=[C]3([C@@H]2C[CH]4=[C]5([C@H](C1)C2)C)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: 30.662 ± 0.008 Å
• b: 10.244 ± 0.003 Å
• c: 15.125 ± 0.004 Å
• α: 90°
• β: 119.651 ± 0.003°
• γ: 90°
• Cell volume: 4129 ± 2 ų
• Cell temperature: 200 K
• Ambient diffraction temperature: 200 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for significantly intense reflections: 0.0587
• Weighted residual factors for all reflections included in the refinement: 0.1857
• Goodness-of-fit parameter for all reflections included in the refinement: 0.911
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No