Information card for entry 4130321

Structure parameters

• Formula: C28 H29 Rh
• Calculated formula: C28 H29 Rh
• SMILES: [Rh]123456([CH2]=[CH2]1)([CH2]=[CH2]2)[cH]1[c]26[c]5([cH]4[cH]31)Cc1cccc3CCC4(CCc5cccc(C2)c45)c13
• 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: 10.2511 ± 0.0014 Å
• b: 12.0614 ± 0.0017 Å
• c: 16.84 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2082.1 ± 0.5 ų
• Cell temperature: 130 K
• Ambient diffraction temperature: 130 K
• Number of distinct elements: 3
• 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: 0.0666
• Residual factor for significantly intense reflections: 0.0452
• Weighted residual factors for significantly intense reflections: 0.0877
• Weighted residual factors for all reflections included in the refinement: 0.096
• Goodness-of-fit parameter for all reflections included in the refinement: 1.025
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No