Information card for entry 1547529

Structure parameters

• Formula: C39 H35 N O2 P2
• Calculated formula: C39 H35 N O2 P2
• SMILES: [P@@](=O)(N(Cc1ccccc1)Cc1ccccc1P(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1OC
• Title of publication: Enantioselective [4 + 1]-Annulation of α,β-Unsaturated Imines with Allylic Carbonates Catalyzed by a Hybrid P-Chiral Phosphine Oxide-Phosphine.
• Authors of publication: Li, Hanyuan; Luo, Jiesi; Li, Bojuan; Yi, Xizhen; He, Zhengjie
• Journal of publication: Organic letters
• Year of publication: 2017
• Journal volume: 19
• Journal issue: 20
• Pages of publication: 5637 - 5640
• a: 8.275 ± 0.006 Å
• b: 22.39 ± 0.018 Å
• c: 9.224 ± 0.007 Å
• α: 90°
• β: 109.92 ± 0.011°
• γ: 90°
• Cell volume: 1607 ± 2 ų
• Cell temperature: 113 ± 2 K
• Ambient diffraction temperature: 113 ± 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: 0.0452
• Residual factor for significantly intense reflections: 0.0367
• Weighted residual factors for significantly intense reflections: 0.0846
• Weighted residual factors for all reflections included in the refinement: 0.0882
• Goodness-of-fit parameter for all reflections included in the refinement: 0.997
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No