Information card for entry 4084665

Structure parameters

• Formula: C16 H22 O Ru
• Calculated formula: C16 H22 O Ru
• SMILES: [Ru]123456(C#[O])([CH2]=[C]1([C]2(=[CH2]3)C)C)[CH]1=[C]4C[C@@H]2[CH]5=[CH]6C[C@H]1C2.[Ru]123456(C#[O])([CH2]=[C]1([C]2(=[CH2]3)C)C)[CH]1=[C]4C[C@H]2[CH]5=[CH]6C[C@@H]1C2
• Title of publication: Regio- and Enantioselective Linear Cross-Dimerizations between Conjugated Dienes and Acrylates Catalyzed by New Ru(0) Complexes
• Authors of publication: Hiroi, Yuki; Komine, Nobuyuki; Komiya, Sanshiro; Hirano, Masafumi
• Journal of publication: Organometallics
• Year of publication: 2014
• Journal volume: 33
• Journal issue: 22
• Pages of publication: 6604
• a: 7.3996 ± 0.0016 Å
• b: 8.555 ± 0.0019 Å
• c: 11.976 ± 0.003 Å
• α: 99.608 ± 0.003°
• β: 99.6178 ± 0.0016°
• γ: 108.609 ± 0.003°
• Cell volume: 688.4 ± 0.3 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: 0.0288
• Weighted residual factors for all reflections included in the refinement: 0.0717
• Goodness-of-fit parameter for all reflections included in the refinement: 1.17
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No