Information card for entry 1542960

Structure parameters

• Formula: C20 H20 N2 O2 S
• Calculated formula: C20 H20 N2 O2 S
• SMILES: S(=O)(=O)(N1C[C@@H](c2c3ccccc3[nH]c2[C@@H]1c1ccccc1)C=C)C
• Title of publication: Highly efficient synthesis and stereoselective migration reactions of chiral five-membered aza-spiroindolenines: scope and mechanistic understanding
• Authors of publication: Wu, Qing-Feng; Zheng, Chao; Zhuo, Chun-Xiang; You, Shu-Li
• Journal of publication: Chem. Sci.
• Year of publication: 2016
• Journal volume: 7
• Journal issue: 7
• Pages of publication: 4453
• a: 8.4047 ± 0.0007 Å
• b: 8.8853 ± 0.0008 Å
• c: 24 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1792.3 ± 0.3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.0463
• Residual factor for significantly intense reflections: 0.0373
• Weighted residual factors for significantly intense reflections: 0.0967
• Weighted residual factors for all reflections included in the refinement: 0.1019
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No