Information card for entry 7131220

Structure parameters

• Formula: C27 H23 N O4
• Calculated formula: C27 H23 N O4
• SMILES: O(C(=O)[C@H]1[C@@H]([C@@]21c1ccccc1N(Cc1ccccc1)C2=O)C(=O)c1ccccc1)CC.O(C(=O)[C@@H]1[C@H]([C@]21c1ccccc1N(Cc1ccccc1)C2=O)C(=O)c1ccccc1)CC
• 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: 8.7528 ± 0.0002 Å
• b: 10.3009 ± 0.0002 Å
• c: 13.3655 ± 0.0002 Å
• α: 71.01 ± 0.001°
• β: 73.278 ± 0.001°
• γ: 75.204 ± 0.001°
• Cell volume: 1073.74 ± 0.04 ų
• Cell temperature: 200 K
• Ambient diffraction temperature: 200 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: 0.0371
• Residual factor for significantly intense reflections: 0.0339
• Weighted residual factors for significantly intense reflections: 0.0835
• Weighted residual factors for all reflections included in the refinement: 0.0855
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No