Information card for entry 4033739

Structure parameters

• Formula: C19 H16 Cl N O
• Calculated formula: C19 H16 Cl N O
• SMILES: Clc1cc2c(cc1)N(C(=O)[C@]12C[C@@H]1C=C)Cc1ccccc1.Clc1cc2[C@@]3(C(=O)N(c2cc1)Cc1ccccc1)[C@H](C=C)C3
• Title of publication: Construction of Bispirooxindole Heterocycles via Palladium-Catalyzed Ring-Opening Formal [3 + 2]-Cycloaddition of Spirovinylcyclopropyl Oxindole and 3-Oxindole Derivatives.
• Authors of publication: Xiao, Jun-An; Li, Yu-Chun; Luo, Zhi-Jin; Cheng, Xiu-Liang; Deng, Zhi-Xiong; Chen, Wen-Qiang; Su, Wei; Yang, Hua
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2019
• Journal volume: 84
• Journal issue: 4
• Pages of publication: 2297 - 2306
• a: 12.5381 ± 0.0011 Å
• b: 12.1234 ± 0.0011 Å
• c: 21.6325 ± 0.0019 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3288.2 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 29
• Hermann-Mauguin space group symbol: P c a 21
• Hall space group symbol: P 2c -2ac
• Residual factor for all reflections: 0.1494
• Residual factor for significantly intense reflections: 0.0624
• Weighted residual factors for significantly intense reflections: 0.1065
• Weighted residual factors for all reflections included in the refinement: 0.1301
• Goodness-of-fit parameter for all reflections included in the refinement: 1.004
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No