Information card for entry 1512373

Structure parameters

• Formula: C23 H19 F6 O4 P S
• Calculated formula: C23 H19 F6 O4 P S
• SMILES: P(=O)([C@@H](CS(=O)(=O)OC(C(F)(F)F)C(F)(F)F)c1ccccc1)(c1ccccc1)c1ccccc1
• Title of publication: Palladium-Catalyzed Asymmetric Addition of Diarylphosphines to α,β-Unsaturated Sulfonic Esters for the Synthesis of Chiral Phosphine Sulfonate Compounds.
• Authors of publication: Lu, Junzhu; Ye, Jinxing; Duan, Wei-Liang
• Journal of publication: Organic letters
• Year of publication: 2013
• Journal volume: 15
• Journal issue: 19
• Pages of publication: 5016 - 5019
• a: 11.9649 ± 0.001 Å
• b: 5.9267 ± 0.0005 Å
• c: 17.3226 ± 0.0014 Å
• α: 90°
• β: 105.988 ± 0.002°
• γ: 90°
• Cell volume: 1180.87 ± 0.17 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0672
• Residual factor for significantly intense reflections: 0.0526
• Weighted residual factors for significantly intense reflections: 0.1335
• Weighted residual factors for all reflections included in the refinement: 0.1448
• Goodness-of-fit parameter for all reflections included in the refinement: 1.02
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No