Information card for entry 4132889

Structure parameters

• Formula: C36 H36 Au Cl N O2 P
• Calculated formula: C36 H36 Au Cl N O2 P
• SMILES: [Au]([P]1(N([C@@H](c2ccccc2)C)[C@@H](c2ccccc2)C)Oc2cccc3c2C24[C@H](C3)CCC[C@H]2Cc2c4c(O1)ccc2)Cl
• 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: 9.8789 ± 0.0007 Å
• b: 16.8273 ± 0.0011 Å
• c: 18.6928 ± 0.0012 Å
• α: 90°
• β: 92.193 ± 0.001°
• γ: 90°
• Cell volume: 3105.1 ± 0.4 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 7
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0296
• Residual factor for significantly intense reflections: 0.0233
• Weighted residual factors for significantly intense reflections: 0.0527
• Weighted residual factors for all reflections included in the refinement: 0.0565
• Goodness-of-fit parameter for all reflections included in the refinement: 1.004
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No