Information card for entry 7118269

Structure parameters

• Formula: C27 H24 Br N O3
• Calculated formula: C27 H24 Br N O3
• SMILES: Brc1ccc(cc1)[C@@H]([C@](c1c2c(n(c1)C)cccc2)(c1ccccc1)C(=O)OC)CC=O
• Title of publication: An enantioselective three-component reaction of diazoacetates with indoles and enals by iridium/iminium co-catalysis.
• Authors of publication: Li, Mingfeng; Guo, Xin; Jin, Weifeng; Zheng, Qing; Liu, Shunying; Hu, Wenhao
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2016
• Journal volume: 52
• Journal issue: 13
• Pages of publication: 2736 - 2739
• a: 8.8669 ± 0.0005 Å
• b: 14.7074 ± 0.0007 Å
• c: 17.9059 ± 0.0009 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2335.1 ± 0.2 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0728
• Residual factor for significantly intense reflections: 0.0397
• Weighted residual factors for significantly intense reflections: 0.0832
• Weighted residual factors for all reflections included in the refinement: 0.0949
• Goodness-of-fit parameter for all reflections included in the refinement: 1.012
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No