Information card for entry 4031178

Structure parameters

• Formula: C32 H32 N O4 P
• Calculated formula: C32 H32 N O4 P
• SMILES: P1(Oc2c3c(O[C@H]([C@@H](Oc4c3c(O1)ccc4)C)C)ccc2)N([C@H](c1ccccc1)C)[C@H](c1ccccc1)C
• Title of publication: Synthesis of a Class of Chiral-Bridged Phosphoramidite Ligands and Their Applications in the First Iridium-Catalyzed Asymmetric Addition of Arylboronic Acids to Isatins.
• Authors of publication: Zhuang, Yue; He, Yuwei; Zhou, Zihong; Xia, Wang; Cheng, Chuyu; Wang, Meng; Chen, Bin; Zhou, Zhongyuan; Pang, Jiyan; Qiu, Liqin
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2015
• Journal volume: 80
• Journal issue: 14
• Pages of publication: 6968 - 6975
• a: 8.4161 ± 0.0002 Å
• b: 13.3624 ± 0.0003 Å
• c: 24.8701 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2796.87 ± 0.11 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.0613
• Residual factor for significantly intense reflections: 0.0377
• Weighted residual factors for significantly intense reflections: 0.0797
• Weighted residual factors for all reflections included in the refinement: 0.0906
• Goodness-of-fit parameter for all reflections included in the refinement: 1.002
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No