Information card for entry 4033740

Structure parameters

• Formula: C28 H24 N2 O3
• Calculated formula: C28 H24 N2 O3
• SMILES: O1[C@@]2([C@]3(C(=O)N(c4c3cccc4)Cc3ccccc3)C[C@H]1C=C)c1ccccc1N(C2=O)C.O1[C@]2([C@@]3(C(=O)N(c4c3cccc4)Cc3ccccc3)C[C@@H]1C=C)c1ccccc1N(C2=O)C
• 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: 9.3074 ± 0.0013 Å
• b: 9.6932 ± 0.0014 Å
• c: 12.3596 ± 0.0018 Å
• α: 92.194 ± 0.005°
• β: 93.218 ± 0.005°
• γ: 96.83 ± 0.005°
• Cell volume: 1104.3 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0624
• Residual factor for significantly intense reflections: 0.0437
• Weighted residual factors for significantly intense reflections: 0.1029
• Weighted residual factors for all reflections included in the refinement: 0.112
• Goodness-of-fit parameter for all reflections included in the refinement: 1.013
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No