Information card for entry 7228755

Structure parameters

• Formula: C84 H87 N2 O4 Sc
• Calculated formula: C84 H87 N2 O4 Sc
• SMILES: [Sc]123(Oc4c(cc(cc4C(C)(C)c4ccccc4)C(C)(C)c4ccccc4)CN4CCC[C@H]4C([OH]1)(c1ccccc1)c1ccccc1)Oc1c(cc(cc1C(C)(C)c1ccccc1)C(C)(C)c1ccccc1)C[N]13CCC[C@H]1C(O2)(c1ccccc1)c1ccccc1
• Title of publication: An efficient asymmetric hydrophosphonylation of unsaturated amides catalyzed by rare-earth metal amides [(Me3Si)2N]3RE(μ-Cl)Li(THF)3 with phenoxy-functionalized chiral prolinols
• Authors of publication: Fei, Zenghui; Zeng, Chao; Lu, Chengrong; Zhao, Bei; Yao, Yingming
• Journal of publication: RSC Adv.
• Year of publication: 2017
• Journal volume: 7
• Journal issue: 31
• Pages of publication: 19306
• a: 13.546 Å
• b: 24.517 Å
• c: 27.817 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 9238.23 ų
• Cell temperature: 223 ± 2 K
• Ambient diffraction temperature: 223 ± 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: 0.0651
• Residual factor for significantly intense reflections: 0.0554
• Weighted residual factors for significantly intense reflections: 0.1503
• Weighted residual factors for all reflections included in the refinement: 0.16
• Goodness-of-fit parameter for all reflections included in the refinement: 1.008
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No