Information card for entry 4036462

Structure parameters

• Formula: C22 H15 N O
• Calculated formula: C22 H15 N O
• SMILES: c1(cc(c(=O)c2ccccc2n1)c1ccccc1)c1ccccc1
• Title of publication: 2-Oxindole Acts as a Synthon of 2-Aminobenzoyl Anion in the K2CO3-Catalyzed Reaction with Enones: Preparation of 1,4-Diketones Bearing an Amino Group and Their Further Transformations.
• Authors of publication: Miao, Chun-Bao; Zeng, Yu-Mei; Shi, Tong; Liu, Rui; Wei, Peng-Fei; Sun, Xiao-Qiang; Yang, Hai-Tao
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2016
• Journal volume: 81
• Journal issue: 1
• Pages of publication: 43 - 50
• a: 12.326 ± 0.002 Å
• b: 8.3378 ± 0.0015 Å
• c: 16.792 ± 0.003 Å
• α: 90°
• β: 109.366 ± 0.004°
• γ: 90°
• Cell volume: 1628.1 ± 0.5 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.0919
• Residual factor for significantly intense reflections: 0.0513
• Weighted residual factors for significantly intense reflections: 0.1464
• Weighted residual factors for all reflections included in the refinement: 0.171
• Goodness-of-fit parameter for all reflections included in the refinement: 1.057
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No