Information card for entry 1547397

Structure parameters

• Formula: C22 H17 N O3 S
• Calculated formula: C22 H17 N O3 S
• SMILES: S1(=O)(=O)N[C@]2(c3c1cccc3)c1c(cccc1)C[C@H]2C(=O)c1ccccc1.S1(=O)(=O)N[C@@]2(c3c1cccc3)c1c(cccc1)C[C@@H]2C(=O)c1ccccc1
• 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: 10.6461 ± 0.0011 Å
• b: 7.0696 ± 0.0006 Å
• c: 23.381 ± 0.003 Å
• α: 90°
• β: 95.897 ± 0.009°
• γ: 90°
• Cell volume: 1750.4 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• 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: 0.1922
• Residual factor for significantly intense reflections: 0.0758
• Weighted residual factors for significantly intense reflections: 0.0852
• Weighted residual factors for all reflections included in the refinement: 0.1136
• Goodness-of-fit parameter for all reflections included in the refinement: 0.915
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No