Information card for entry 7154844

Structure parameters

• Formula: C18 H15 N O4
• Calculated formula: C18 H15 N O4
• SMILES: O=C(CC1(O)c2c(N(C1=O)C(=O)C)cccc2)c1ccccc1
• Title of publication: An unprecedented protocol for the synthesis of 3-hydroxy-3-phenacyloxindole derivatives with indolin-2-ones and α-substituted ketones.
• Authors of publication: Bai, Mei; You, Yong; Chen, Yong-Zheng; Xiang, Guang-Yan; Xu, Xiao-Ying; Zhang, Xiao-Mei; Yuan, Wei-Cheng
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2016
• Journal volume: 14
• Journal issue: 4
• Pages of publication: 1395 - 1401
• a: 11.1239 ± 0.0003 Å
• b: 8.9956 ± 0.0002 Å
• c: 15.6586 ± 0.0004 Å
• α: 90°
• β: 105.218 ± 0.002°
• γ: 90°
• Cell volume: 1511.95 ± 0.07 ų
• Cell temperature: 289 ± 2 K
• Ambient diffraction temperature: 289 ± 2 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: 0.045
• Residual factor for significantly intense reflections: 0.0422
• Weighted residual factors for significantly intense reflections: 0.1106
• Weighted residual factors for all reflections included in the refinement: 0.1128
• Goodness-of-fit parameter for all reflections included in the refinement: 1.065
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No