Information card for entry 7160296

Structure parameters

• Formula: C28 H33 N3 O4 S
• Calculated formula: C28 H33 N3 O4 S
• Title of publication: Catalyst-free coupling of peroxypyrroloindolenines with amines to afford stable peroxyindolenines.
• Authors of publication: Zheng, Xiaoshan; Wang, Menghan; Sun, Xianbin; Gao, Yu; Chen, Haijun
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2025
• Journal volume: 23
• Journal issue: 5
• Pages of publication: 1215 - 1218
• a: 12.9075 ± 0.0002 Å
• b: 9.8706 ± 0.0002 Å
• c: 21.405 ± 0.0004 Å
• α: 90°
• β: 94.326 ± 0.002°
• γ: 90°
• Cell volume: 2719.33 ± 0.09 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: 0.0797
• Residual factor for significantly intense reflections: 0.0693
• Weighted residual factors for significantly intense reflections: 0.2039
• Weighted residual factors for all reflections included in the refinement: 0.2169
• Goodness-of-fit parameter for all reflections included in the refinement: 1.086
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No