Information card for entry 7108558

Structure parameters

• Formula: C27 H26 N O2 P S2
• Calculated formula: C27 H26 N O2 P S2
• SMILES: P(=S)([C@H](NS(=O)(=O)c1ccc(cc1)C)c1ccc(cc1)C)(c1ccccc1)c1ccccc1
• Title of publication: Palladium-catalyzed asymmetric addition of diarylphosphines to N-tosylimines
• Authors of publication: Miao Huang; Chun Li; Jian Huang; Wei-Liang Duan; Sheng Xu
• Journal of publication: Chem.Commun.
• Year of publication: 2012
• Journal volume: 48
• Pages of publication: 11148
• a: 9.1556 ± 0.0007 Å
• b: 11.5676 ± 0.001 Å
• c: 24.164 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2559.2 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• 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: 0.0367
• Residual factor for significantly intense reflections: 0.0337
• Weighted residual factors for significantly intense reflections: 0.0885
• Weighted residual factors for all reflections included in the refinement: 0.0912
• Goodness-of-fit parameter for all reflections included in the refinement: 1.055
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No