Information card for entry 4132887

Structure parameters

• Formula: C25 H27 Br2 N O3
• Calculated formula: C25 H27 Br2 N O3
• SMILES: Brc1ccc(O)c2c1C[C@@H]1CCC[C@@H]3C21c1c(C3)c(Br)ccc1O.N1(C(=O)CCC1)C
• 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: 9.5365 ± 0.001 Å
• b: 9.5132 ± 0.001 Å
• c: 12.9888 ± 0.0014 Å
• α: 90°
• β: 97.298 ± 0.002°
• γ: 90°
• Cell volume: 1168.8 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0493
• Residual factor for significantly intense reflections: 0.039
• Weighted residual factors for significantly intense reflections: 0.0904
• Weighted residual factors for all reflections included in the refinement: 0.095
• Goodness-of-fit parameter for all reflections included in the refinement: 0.922
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No