Information card for entry 7127244

Structure parameters

• Formula: C28 H27 Br N2 O4
• Calculated formula: C28 H27 Br N2 O4
• SMILES: Brc1c(nccc1)[C@@]1(C(=O)Nc2c1cccc2C)[C@@H](CC(=O)c1ccccc1)C(=O)OC(C)(C)C.Brc1c(nccc1)[C@]1(C(=O)Nc2c1cccc2C)[C@H](CC(=O)c1ccccc1)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: 10.957 ± 0.0013 Å
• b: 22.742 ± 0.002 Å
• c: 11.167 ± 0.0011 Å
• α: 90°
• β: 110.062 ± 0.004°
• γ: 90°
• Cell volume: 2613.8 ± 0.5 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: 0.1485
• Residual factor for significantly intense reflections: 0.0585
• Weighted residual factors for significantly intense reflections: 0.1106
• Weighted residual factors for all reflections included in the refinement: 0.1423
• Goodness-of-fit parameter for all reflections included in the refinement: 1.015
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No