Information card for entry 1547395

Structure parameters

• Formula: C24 H18 F3 N O3 S
• Calculated formula: C24 H18 F3 N O3 S
• SMILES: S1(=O)(=O)N[C@@]2(c3c([C@@H]([C@H]2C(=O)c2ccc(cc2)C)C(F)(F)F)cccc3)c2ccccc12.S1(=O)(=O)N[C@]2(c3c([C@H]([C@@H]2C(=O)c2ccc(cc2)C)C(F)(F)F)cccc3)c2ccccc12
• 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: 8.0793 ± 0.0002 Å
• b: 9.9652 ± 0.0003 Å
• c: 13.6943 ± 0.0003 Å
• α: 93.198 ± 0.002°
• β: 105.789 ± 0.002°
• γ: 91.377 ± 0.002°
• Cell volume: 1058.42 ± 0.05 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0606
• Residual factor for significantly intense reflections: 0.0582
• Weighted residual factors for significantly intense reflections: 0.1556
• Weighted residual factors for all reflections included in the refinement: 0.1598
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No