Information card for entry 4514777

Structure parameters

• Formula: C46 H72 Dy F9 N4 O17 S3
• Calculated formula: C46 H76 Dy F9 N4 O17 S3
• SMILES: [Dy]123([O]=N4([C@H](C(Nc5c(cccc5C(C)C)C(C)C)=[O]2)CCCC4)CCCN2(=[O]1)CCCC[C@H]2C(Nc1c(cccc1C(C)C)C(C)C)=[O]3)([OH]C)([OH]C)([OH]C)[OH]C.S(=O)(=O)([O-])C(F)(F)F.FC(F)(S(=O)(=O)[O-])F.S(=O)(=O)([O-])C(F)(F)F
• Title of publication: Asymmetric Synthesis of P-Stereogenic Compounds via Thulium(III)-Catalyzed Desymmetrization of Dialkynylphosphine Oxides
• Authors of publication: Zhang, Yu; Zhang, Fengcai; Chen, Long; Xu, Jian; Liu, Xiaohua; Feng, Xiaoming
• Journal of publication: ACS Catalysis
• Year of publication: 2019
• Journal volume: 9
• Journal issue: 6
• Pages of publication: 4834
• a: 12.1386 ± 0.0012 Å
• b: 16.1932 ± 0.0015 Å
• c: 15.8018 ± 0.0015 Å
• α: 90°
• β: 97.546 ± 0.005°
• γ: 90°
• Cell volume: 3079.1 ± 0.5 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 7
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.056
• Residual factor for significantly intense reflections: 0.0514
• Weighted residual factors for significantly intense reflections: 0.1334
• Weighted residual factors for all reflections included in the refinement: 0.1434
• Goodness-of-fit parameter for all reflections included in the refinement: 1.013
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No