Information card for entry 7131221

Structure parameters

• Formula: C27 H22 Br N O5
• Calculated formula: C27 H22 Br N O5
• SMILES: Brc1ccc([C@]2([C@@]3(C(=O)N(c4c3cccc4)Cc3ccccc3)[C@@H]2C(=O)OC)C(=O)OC)cc1.Brc1ccc([C@@]2([C@]3(C(=O)N(c4c3cccc4)Cc3ccccc3)[C@H]2C(=O)OC)C(=O)OC)cc1
• Title of publication: B(C₆F₅)₃-catalyzed cyclopropanation of 3-alkenyl-oxindoles with diazomethanes.
• Authors of publication: Xiao, Lei; Jin, Lvnan; Zhao, Yunbo; Guo, Jing; Stephan, Douglas W.
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2023
• Journal volume: 59
• Journal issue: 13
• Pages of publication: 1833 - 1836
• a: 13.2115 ± 0.0003 Å
• b: 14.3699 ± 0.0003 Å
• c: 24.8145 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4710.98 ± 0.17 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 5
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0327
• Residual factor for significantly intense reflections: 0.0274
• Weighted residual factors for significantly intense reflections: 0.0734
• Weighted residual factors for all reflections included in the refinement: 0.0764
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No