Information card for entry 4132884

Structure parameters

• Formula: C54 H64 B Cl4 F4 N2 O4 P2 Rh
• Calculated formula: C54 H64 B Cl4 F4 N2 O4 P2 Rh
• SMILES: [Rh]123([P]4(N(C)C)Oc5cccc6c5C57[C@H](C6)CCC[C@H]5Cc5cccc(O4)c75)([P]4(N(C)C)Oc5cccc6c5C57[C@H](C6)CCC[C@H]5Cc5cccc(O4)c75)[CH]4=[CH]1CC[CH]2=[CH]3CC4.ClCCl.ClCCl.[B](F)(F)(F)[F-]
• Title of publication: Chiral Cyclohexyl-Fused Spirobiindanes: Practical Synthesis, Ligand Development, and Asymmetric Catalysis.
• Authors of publication: Zheng, Zhiyao; Cao, Yuxi; Chong, Qinglei; Han, Zhaobin; Ding, Jiaming; Luo, Chenguang; Wang, Zheng; Zhu, Dongsheng; Zhou, Qi-Lin; Ding, Kuiling
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2018
• Journal volume: 140
• Journal issue: 32
• Pages of publication: 10374 - 10381
• a: 12.2182 ± 0.0011 Å
• b: 18.0171 ± 0.0017 Å
• c: 12.297 ± 0.0012 Å
• α: 90°
• β: 92.787 ± 0.002°
• γ: 90°
• Cell volume: 2703.8 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 9
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0565
• Residual factor for significantly intense reflections: 0.0509
• Weighted residual factors for significantly intense reflections: 0.1217
• Weighted residual factors for all reflections included in the refinement: 0.1254
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No