Information card for entry 4028368

Structure parameters

• Formula: C30 H29 Cl4 O3 P Ru
• Calculated formula: C30 H29 Cl4 O3 P Ru
• SMILES: [Ru]123456([P@]7(c8c(c9c(O[c]%101[cH]6[cH]5[cH]4[cH]3[cH]2%10)cccc9Oc1ccccc1)cccc8OC7)C(C)(C)C)(Cl)Cl.C(Cl)Cl
• Title of publication: A Chiral Ruthenium-Monophosphine Catalyst for Asymmetric Addition of Arylboronic Acids to Aryl Aldehydes
• Authors of publication: Ke Li; Naifu Hu; Renshi Luo; Weicheng Yuan; Wenjun Tang
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2013
• Journal volume: 78
• Pages of publication: 6350 - 6355
• a: 9.884 ± 0.002 Å
• b: 10.805 ± 0.002 Å
• c: 28.083 ± 0.006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2999.2 ± 1 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 6
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.031
• Residual factor for significantly intense reflections: 0.0293
• Weighted residual factors for significantly intense reflections: 0.0704
• Weighted residual factors for all reflections included in the refinement: 0.0713
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No