Information card for entry 7155127

Structure parameters

• Chemical name: (R,E)-tert-butyl 3-(4-bromobenzylidene)-4-((S)-1-(4-methoxyphenyl)-2-nitroethyl)-2,5-dioxopyrrolidine-1-carboxylate
• Formula: C25 H25 Br N2 O7
• Calculated formula: C25 H25 Br N2 O7
• SMILES: Brc1ccc(cc1)/C=C\1C(=O)N(C(=O)[C@@H]1[C@H](CN(=O)=O)c1ccc(OC)cc1)C(=O)OC(C)(C)C
• Title of publication: Organocatalytic asymmetric Michael addition of α-alkylidene succinimides to nitrostyrenes.
• Authors of publication: Zhao, Bo-Liang; Zhang, Dongxiang; Liu, Lei; Du, Da-Ming
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2016
• Journal volume: 14
• Journal issue: 26
• Pages of publication: 6337 - 6345
• a: 11.689 ± 0.002 Å
• b: 17.969 ± 0.004 Å
• c: 12.35 ± 0.003 Å
• α: 90°
• β: 90.44 ± 0.03°
• γ: 90°
• Cell volume: 2593.9 ± 1 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0632
• Residual factor for significantly intense reflections: 0.053
• Weighted residual factors for significantly intense reflections: 0.1486
• Weighted residual factors for all reflections included in the refinement: 0.1722
• Goodness-of-fit parameter for all reflections included in the refinement: 1.098
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No