Information card for entry 4082642

Structure parameters

• Formula: C22 H25 N O2 Ru
• Calculated formula: C22 H25 N O2 Ru
• SMILES: [Ru]12345([n]6ccccc6c6c1cccc6C)([CH]1=[CH]2CC[CH]3=[CH]4CC1)OC(=[O]5)C
• 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: 9.3192 ± 0.0012 Å
• b: 10.6453 ± 0.0014 Å
• c: 10.8679 ± 0.0014 Å
• α: 108.651 ± 0.004°
• β: 111.833 ± 0.003°
• γ: 99.462 ± 0.004°
• Cell volume: 897.7 ± 0.2 ų
• Cell temperature: 93 ± 2 K
• Ambient diffraction temperature: 93 ± 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: 0.0327
• Residual factor for significantly intense reflections: 0.0306
• Weighted residual factors for significantly intense reflections: 0.0837
• Weighted residual factors for all reflections included in the refinement: 0.0906
• Goodness-of-fit parameter for all reflections included in the refinement: 1.26
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No