Information card for entry 1558092

Structure parameters

• Formula: C33 H28 F6 N2 S2
• Calculated formula: C33 H28 F6 N2 S2
• SMILES: S=C(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)N1[C@@](c2ccccc2)(C)C[C@](C1)(c1cscc1)CC(=C)c1ccccc1
• Title of publication: Desymmetrization of unactivated bis-alkenes via chiral Brønsted acid-catalysed hydroamination
• Authors of publication: Yu, Zhang-Long; Cheng, Yong-Feng; Jiang, Na-Chuan; Wang, Jian; Fan, Li-Wen; Yuan, Yue; Li, Zhong-Liang; Gu, Qiang-Shuai; Liu, Xin-Yuan
• Journal of publication: Chemical Science
• Year of publication: 2020
• Journal volume: 11
• Journal issue: 23
• Pages of publication: 5987 - 5993
• a: 10.6734 ± 0.0007 Å
• b: 13.492 ± 0.0009 Å
• c: 10.8926 ± 0.0008 Å
• α: 90°
• β: 106.158 ± 0.002°
• γ: 90°
• Cell volume: 1506.63 ± 0.18 ų
• Cell temperature: 120 K
• Ambient diffraction temperature: 120 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: 0.0307
• Residual factor for significantly intense reflections: 0.0276
• Weighted residual factors for significantly intense reflections: 0.0664
• Weighted residual factors for all reflections included in the refinement: 0.0679
• Goodness-of-fit parameter for all reflections included in the refinement: 1.06
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No