Information card for entry 4132888

Structure parameters

• Formula: C36 H36 N O2 P
• Calculated formula: C36 H36 N O2 P
• SMILES: P1(N([C@@H](C)c2ccccc2)[C@@H](C)c2ccccc2)Oc2cccc3c2C24[C@H](C3)CCC[C@H]2Cc2c4c(O1)ccc2
• 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: 11.5285 ± 0.0015 Å
• b: 14.1892 ± 0.0018 Å
• c: 18.146 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2968.3 ± 0.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• 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: 0.064
• Residual factor for significantly intense reflections: 0.0506
• Weighted residual factors for significantly intense reflections: 0.1218
• Weighted residual factors for all reflections included in the refinement: 0.1306
• Goodness-of-fit parameter for all reflections included in the refinement: 1.023
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No