Information card for entry 7128109

Structure parameters

• Formula: C28 H24 Cl N O2
• Calculated formula: C28 H24 Cl N O2
• SMILES: Clc1c(cccc1)[C@H]1[C@@]2(C(=O)N(c3ccccc23)Cc2ccccc2)C[C@@H]([C@@H]1C=O)C=C
• Title of publication: Enantioselective formal [3+2]-cycloadditions to access spirooxindoles bearing four contiguous stereocenters through synergistic catalysis.
• Authors of publication: Xiao, Jun-An; Li, Jin-Lian; Cheng, Xiu-Liang; Chen, Kai; Peng, Hai; Chen, Wen-Qiang; Su, Wei; Huang, Yan-Min; Yang, Hua
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2021
• Journal volume: 57
• Journal issue: 36
• Pages of publication: 4456 - 4459
• a: 8.3579 ± 0.0008 Å
• b: 13.8057 ± 0.0013 Å
• c: 19.3031 ± 0.0019 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2227.3 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0893
• Residual factor for significantly intense reflections: 0.0503
• Weighted residual factors for significantly intense reflections: 0.1001
• Weighted residual factors for all reflections included in the refinement: 0.1124
• Goodness-of-fit parameter for all reflections included in the refinement: 1.021
• Diffraction radiation wavelength: 0.71076 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No