Information card for entry 7127242

Structure parameters

• Formula: C27 H25 Br N2 O4
• Calculated formula: C27 H25 Br N2 O4
• SMILES: BrC1=CC=CN2[C@@H](C(=O)c3ccccc3)[C@@H]([C@@]3(C(=O)Nc4c3cccc4)[C@H]12)C(=O)OC(C)(C)C.BrC1=CC=CN2[C@H](C(=O)c3ccccc3)[C@H]([C@]3(C(=O)Nc4c3cccc4)[C@@H]12)C(=O)OC(C)(C)C
• Title of publication: Enantioselective dicarbofunctionalization of (<i>E</i>)-alkenyloxindoles with pyridinium salts by chiral Lewis acid/photo relay catalysis.
• Authors of publication: Zhang, Dong; Dong, Shunxi; He, Qianwen; Luo, Yao; Liu, Yun; Liu, Xiaohua; Feng, Xiaoming
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2020
• Journal volume: 56
• Journal issue: 84
• Pages of publication: 12757 - 12760
• a: 13.2371 ± 0.0004 Å
• b: 16.5924 ± 0.0005 Å
• c: 11.5023 ± 0.0003 Å
• α: 90°
• β: 106.316 ± 0.001°
• γ: 90°
• Cell volume: 2424.57 ± 0.12 ų
• Cell temperature: 170 ± 2 K
• Ambient diffraction temperature: 170 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0441
• Residual factor for significantly intense reflections: 0.0417
• Weighted residual factors for significantly intense reflections: 0.101
• Weighted residual factors for all reflections included in the refinement: 0.1031
• Goodness-of-fit parameter for all reflections included in the refinement: 1.063
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No