Information card for entry 7225395

Structure parameters

• Formula: C19 H20 N O4 S
• Calculated formula: C19 H20 N O4 S
• SMILES: N1(S(=O)(=O)c2ccc(cc2)C)[C@H](O)C[C@H]([C@H]1C(=O)C)c1ccccc1
• Title of publication: Prochiral Alkyl-aminomethyl Ketones as Convenient Precursors for Efficient Synthesis of Chiral (2,3,5)- Tri-substitued Pyrrolidines via an Organo-Catalysed Tandem Reaction
• Authors of publication: Song, Yuming; Li, Ke; Shu, Tao; Xie, Yamei; Zhang, Yixin; Qu, Jingping
• Journal of publication: RSC Adv.
• Year of publication: 2016
• a: 7.3097 ± 0.0011 Å
• b: 10.0954 ± 0.0015 Å
• c: 24.274 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1791.3 ± 0.5 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 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: 0.0353
• Residual factor for significantly intense reflections: 0.0323
• Weighted residual factors for significantly intense reflections: 0.0873
• Weighted residual factors for all reflections included in the refinement: 0.089
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No