Information card for entry 7240053

Structure parameters

• Formula: C20 H19 N O4
• Calculated formula: C20 H19 N O4
• SMILES: O(C1N(c2c(C1=O)cccc2)C(=O)C)C(=O)c1c(cc(cc1C)C)C
• Title of publication: Direct C(sp3)–H acyloxylation of indolin-3-ones with carboxylic acids catalysed by KI
• Authors of publication: Zhao, Yong-Long; Tang, Yong-Qin; Fei, Xing-Hai; Yang, Fen-Fen; Cao, Zhuo-Xian; Duan, Dong-Zhu; Zhao, Qing-Jie; Yang, Yuan-Yong; Zhou, Meng; He, Bin
• Journal of publication: Green Chemistry
• Year of publication: 2020
• Journal volume: 22
• Journal issue: 8
• Pages of publication: 2354 - 2358
• a: 8.4606 ± 0.0004 Å
• b: 16.9137 ± 0.0008 Å
• c: 35.129 ± 0.003 Å
• α: 90°
• β: 90.02 ± 0.02°
• γ: 90°
• Cell volume: 5027 ± 0.5 ų
• Cell temperature: 100.01 ± 0.1 K
• Ambient diffraction temperature: 100.01 ± 0.1 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0779
• Residual factor for significantly intense reflections: 0.0515
• Weighted residual factors for significantly intense reflections: 0.1179
• Weighted residual factors for all reflections included in the refinement: 0.1354
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No