Information card for entry 4032909

Structure parameters

• Formula: C31 H23 N3 O3
• Calculated formula: C31 H23 N3 O3
• SMILES: c1ccccc1CN1C(=O)[C@@]2(c3c1cccc3)[C@@H](C(C(=O)c1ccccc1)=NN2)C(=O)c1ccccc1.c1ccccc1CN1C(=O)[C@]2(c3c1cccc3)[C@H](C(C(=O)c1ccccc1)=NN2)C(=O)c1ccccc1
• 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: 13.431 ± 0.002 Å
• b: 8.9297 ± 0.0015 Å
• c: 21.363 ± 0.004 Å
• α: 90°
• β: 106.011 ± 0.002°
• γ: 90°
• Cell volume: 2462.8 ± 0.7 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: 0.0868
• Residual factor for significantly intense reflections: 0.0549
• Weighted residual factors for significantly intense reflections: 0.1545
• Weighted residual factors for all reflections included in the refinement: 0.1791
• Goodness-of-fit parameter for all reflections included in the refinement: 0.988
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No