Information card for entry 4132890

Structure parameters

• Formula: C44 H48 Cl N O2 P Rh
• Calculated formula: C44 H48 Cl N O2 P Rh
• SMILES: [Rh]123([P]4(N([C@H](c5ccccc5)C)[C@H](c5ccccc5)C)Oc5cccc6c5C57[C@H](C6)CCC[C@H]5Cc5c7c(O4)ccc5)(Cl)[CH]4CC[CH]1=[CH]2CC[CH]3=4
• 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: 16.751 ± 0.0018 Å
• b: 18.5377 ± 0.0019 Å
• c: 11.9955 ± 0.0013 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3724.9 ± 0.7 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 18
• Hermann-Mauguin space group symbol: P 21 21 2
• Hall space group symbol: P 2 2ab
• Residual factor for all reflections: 0.0439
• Residual factor for significantly intense reflections: 0.0401
• Weighted residual factors for significantly intense reflections: 0.0912
• Weighted residual factors for all reflections included in the refinement: 0.0933
• Goodness-of-fit parameter for all reflections included in the refinement: 1.096
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No