Information card for entry 7128110

Structure parameters

• Formula: C28 H24 Cl N O2
• Calculated formula: C28 H24 Cl N O2
• SMILES: Clc1c2N(Cc3ccccc3)C(=O)[C@@]3(c2ccc1)[C@H](c1ccccc1)[C@H]([C@H](C3)C=C)C=O.Clc1c2N(Cc3ccccc3)C(=O)[C@]3(c2ccc1)[C@@H](c1ccccc1)[C@@H]([C@@H](C3)C=C)C=O
• 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: 9.517 ± 0.0005 Å
• b: 16 ± 0.0008 Å
• c: 14.7989 ± 0.0008 Å
• α: 90°
• β: 97.614 ± 0.002°
• γ: 90°
• Cell volume: 2233.6 ± 0.2 ų
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.131
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No