Information card for entry 1503001

Structure parameters

• Formula: C29 H25 Br N2 O5
• Calculated formula: C29 H25 Br N2 O5
• SMILES: Brc1cc(N2C(=O)[C@H]([C@@]3(c4ccccc4)c4ccccc4N(C(=O)OC(C)(C)C)C3=O)CC2=O)ccc1
• Title of publication: Highly diastereo- and enantioselective Michael additions of 3-substituted oxindoles to maleimides catalyzed by chiral bifunctional thiourea-tertiary amine.
• Authors of publication: Liao, Yu-Hua; Liu, Xiong-Li; Wu, Zhi-Jun; Cun, Lin-Feng; Zhang, Xiao-Mei; Yuan, Wei-Cheng
• Journal of publication: Organic letters
• Year of publication: 2010
• Journal volume: 12
• Journal issue: 13
• Pages of publication: 2896 - 2899
• a: 8.9418 ± 0.0002 Å
• b: 12.138 ± 0.0002 Å
• c: 29.4256 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3193.72 ± 0.12 ų
• Cell temperature: 291 ± 2 K
• Ambient diffraction temperature: 291 ± 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: 0.0691
• Residual factor for significantly intense reflections: 0.0383
• Weighted residual factors for significantly intense reflections: 0.096
• Weighted residual factors for all reflections included in the refinement: 0.099
• Goodness-of-fit parameter for all reflections included in the refinement: 1.001
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No