Information card for entry 7153443

Structure parameters

• Formula: C14 H14 Br N O3
• Calculated formula: C14 H14 Br N O3
• SMILES: Brc1ccc(N2C(=O)[C@H](CC2=O)C(C=O)(C)C)cc1
• Title of publication: A highly efficient asymmetric Michael addition of α,α-disubstituted aldehydes to maleimides catalyzed by primary amine thiourea salt.
• Authors of publication: Yu, Feng; Jin, Zhichao; Huang, Huicai; Ye, Tingting; Liang, Xinmiao; Ye, Jinxing
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2010
• Journal volume: 8
• Journal issue: 20
• Pages of publication: 4767 - 4774
• a: 6.607 ± 0.003 Å
• b: 10.212 ± 0.004 Å
• c: 20.641 ± 0.008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1392.7 ± 1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0511
• Residual factor for significantly intense reflections: 0.0398
• Weighted residual factors for significantly intense reflections: 0.0822
• Weighted residual factors for all reflections included in the refinement: 0.085
• Goodness-of-fit parameter for all reflections included in the refinement: 0.913
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No