Information card for entry 1547396

Structure parameters

• Formula: C24 H18 F3 N O3 S
• Calculated formula: C24 H18 F3 N O3 S
• SMILES: S1(=O)(=O)N[C@]2([C@@H](C(=O)c3ccc(cc3)C)[C@@H](c3c2cccc3)C(F)(F)F)c2c1cccc2.S1(=O)(=O)N[C@@]2([C@H](C(=O)c3ccc(cc3)C)[C@H](c3c2cccc3)C(F)(F)F)c2c1cccc2
• Title of publication: Rh(III)-Catalyzed Diastereodivergent Spiroannulation of Cyclic Imines with Activated Alkenes.
• Authors of publication: Liu, Bingxian; Hu, Panjie; Zhang, Ying; Li, Yunyun; Bai, Dachang; Li, Xingwei
• Journal of publication: Organic letters
• Year of publication: 2017
• Journal volume: 19
• Journal issue: 19
• Pages of publication: 5402 - 5405
• a: 11.3446 ± 0.0004 Å
• b: 15.1444 ± 0.0005 Å
• c: 13.1535 ± 0.0004 Å
• α: 90°
• β: 104.43 ± 0.003°
• γ: 90°
• Cell volume: 2188.57 ± 0.13 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0735
• Residual factor for significantly intense reflections: 0.0595
• Weighted residual factors for significantly intense reflections: 0.1596
• Weighted residual factors for all reflections included in the refinement: 0.1727
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No