Information card for entry 1542961

Structure parameters

• Formula: C26 H24 N2 O2 S
• Calculated formula: C26 H24 N2 O2 S
• SMILES: S(=O)(=O)(N1[C@H](c2[nH]c3c(c2[C@H](C1)C=C)cccc3)c1ccccc1)c1ccc(cc1)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: 11.8055 ± 0.0008 Å
• b: 13.0054 ± 0.0009 Å
• c: 14.4044 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2211.6 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0446
• Residual factor for significantly intense reflections: 0.0394
• Weighted residual factors for significantly intense reflections: 0.0994
• Weighted residual factors for all reflections included in the refinement: 0.1036
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No