Information card for entry 4134577

Structure parameters

• Formula: C31 H33 N O4 S
• Calculated formula: C31 H33 N O4 S
• Title of publication: Hydroxylamines as Bifunctional Single-Nitrogen Sources for the Rapid Assembly of Diverse Tricyclic Indole Scaffolds.
• Authors of publication: Fan, Liangxin; Hao, Jiamao; Yu, Jingxun; Ma, Xiaojun; Liu, Jingjing; Luan, Xinjun
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2020
• a: 9.2157 ± 0.0019 Å
• b: 10.454 ± 0.002 Å
• c: 13.746 ± 0.003 Å
• α: 92.427 ± 0.003°
• β: 93.426 ± 0.003°
• γ: 92.778 ± 0.004°
• Cell volume: 1319 ± 0.5 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1089
• Residual factor for significantly intense reflections: 0.0658
• Weighted residual factors for significantly intense reflections: 0.1641
• Weighted residual factors for all reflections included in the refinement: 0.2223
• Goodness-of-fit parameter for all reflections included in the refinement: 0.99
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No