Information card for entry 4037327

Structure parameters

• Formula: C24 H20 Cl N O3
• Calculated formula: C24 H20 Cl N O3
• SMILES: N1C(=C(c2ccccc2)C(=O)c2ccccc12)C(=O)c1ccc(cc1)Cl.OCC
• Title of publication: The Cs₂CO₃-Catalyzed Reaction of 2-Oxindoles with Enones for the Preparation of Indolin-3-Ones and Their Further Transformation.
• Authors of publication: Shao, Ying; Zeng, Yu-Mei; Ji, Jie-Ying; Sun, Xiao-Qiang; Yang, Hai-Tao; Miao, Chun-Bao
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2016
• Journal volume: 81
• Journal issue: 24
• Pages of publication: 12443 - 12450
• a: 10.083 ± 0.0012 Å
• b: 13.0578 ± 0.0016 Å
• c: 15.4468 ± 0.0019 Å
• α: 90°
• β: 96.388 ± 0.003°
• γ: 90°
• Cell volume: 2021.1 ± 0.4 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.0685
• Residual factor for significantly intense reflections: 0.0562
• Weighted residual factors for significantly intense reflections: 0.1696
• Weighted residual factors for all reflections included in the refinement: 0.1899
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No