Information card for entry 4130322

Structure parameters

• Formula: C30 H33 O2 Rh
• Calculated formula: C30 H33 O2 Rh
• SMILES: [Rh]123456([CH2]=[CH2]1)([CH2]=[CH2]2)[c]12[cH]3[cH]4[cH]5[c]61Cc1c(OC)ccc3c1C1(CC3)CCc3ccc(OC)c(c13)C2
• Title of publication: Synthesis and Application of Chiral Spiro Cp Ligands in Rhodium-Catalyzed Asymmetric Oxidative Coupling of Biaryl Compounds with Alkenes.
• Authors of publication: Zheng, Jun; Cui, Wen-Jun; Zheng, Chao; You, Shu-Li
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2016
• Journal volume: 138
• Journal issue: 16
• Pages of publication: 5242 - 5245
• a: 7.156 ± 0.003 Å
• b: 14.439 ± 0.006 Å
• c: 23.483 ± 0.009 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2426.4 ± 1.7 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296.15 K
• Number of distinct elements: 4
• 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: 0.0999
• Residual factor for significantly intense reflections: 0.0463
• Weighted residual factors for significantly intense reflections: 0.0838
• Weighted residual factors for all reflections included in the refinement: 0.0996
• Goodness-of-fit parameter for all reflections included in the refinement: 0.982
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No