Information card for entry 4082643

Structure parameters

• Formula: C37.5 H34 N2 O2 Ru
• Calculated formula: C37.5 H34 N2 O2 Ru
• Title of publication: Ruthenium-Catalyzed Ortho-Selective C‒H Alkenylation of Aromatic Compounds with Alkenyl Esters and Ethers
• Authors of publication: Ogiwara, Yohei; Tamura, Masaru; Kochi, Takuya; Matsuura, Yusuke; Chatani, Naoto; Kakiuchi, Fumitoshi
• Journal of publication: Organometallics
• Year of publication: 2014
• Journal volume: 33
• Journal issue: 1
• Pages of publication: 402
• a: 9.3382 ± 0.0009 Å
• b: 10.7006 ± 0.0011 Å
• c: 16.4644 ± 0.0015 Å
• α: 74.606 ± 0.002°
• β: 74.799 ± 0.003°
• γ: 71.863 ± 0.003°
• Cell volume: 1478.1 ± 0.2 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0582
• Residual factor for significantly intense reflections: 0.0419
• Weighted residual factors for significantly intense reflections: 0.0871
• Weighted residual factors for all reflections included in the refinement: 0.101
• Goodness-of-fit parameter for all reflections included in the refinement: 1.118
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No