Information card for entry 4032910

Structure parameters

• Formula: C21 H19 N O4
• Calculated formula: C21 H19 N O4
• SMILES: Cc1ccc(cc1)C(=O)CC(=C\1C(=O)N(c2c1cccc2)C)\C(=O)OC
• Title of publication: Synthesis of Spiro[pyrazolin-3,3'-oxindoles] and 3-Arylcarbonylmethyl Substituted Ylideneoxindoles by 1,3-Dipolar Cycloadditions of 3-Ylideneoxindoles and In-Situ-Generated α-Diazoketones.
• Authors of publication: Jiang, Shan; Guo, Hong-Mei; Yao, Sheng; Shi, De-Qing; Xiao, Wen-Jing
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2017
• Journal volume: 82
• Journal issue: 19
• Pages of publication: 10433 - 10443
• a: 8.481 ± 0.002 Å
• b: 8.527 ± 0.002 Å
• c: 13.607 ± 0.003 Å
• α: 102.268 ± 0.003°
• β: 99.165 ± 0.004°
• γ: 107.023 ± 0.004°
• Cell volume: 893.2 ± 0.4 ų
• Cell temperature: 324 ± 2 K
• Ambient diffraction temperature: 324 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1013
• Residual factor for significantly intense reflections: 0.0557
• Weighted residual factors for significantly intense reflections: 0.1651
• Weighted residual factors for all reflections included in the refinement: 0.2035
• Goodness-of-fit parameter for all reflections included in the refinement: 0.92
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No