Information card for entry 4122226

Structure parameters

• Common name: compound 3b
• Formula: C22 H26 Br N O3
• Calculated formula: C22 H26 Br N O3
• SMILES: Brc1cc(c(cc1)N1C(=O)C[C@@H](C1=O)[C@@H](C)C1=CC(=O)CCC1)C(C)(C)C
• Title of publication: Remote Control of Axial Chirality: Aminocatalytic Desymmetrization of N-Arylmaleimides via Vinylogous Michael Addition.
• Authors of publication: Di Iorio, Nicola; Righi, Paolo; Mazzanti, Andrea; Mancinelli, Michele; Ciogli, Alessia; Bencivenni, Giorgio
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2014
• Journal volume: 136
• Journal issue: 29
• Pages of publication: 10250 - 10253
• a: 11.636 ± 0.002 Å
• b: 9.2863 ± 0.0018 Å
• c: 20.039 ± 0.004 Å
• α: 90°
• β: 105.279 ± 0.004°
• γ: 90°
• Cell volume: 2088.8 ± 0.7 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.0787
• Residual factor for significantly intense reflections: 0.062
• Weighted residual factors for significantly intense reflections: 0.1527
• Weighted residual factors for all reflections included in the refinement: 0.1616
• Goodness-of-fit parameter for all reflections included in the refinement: 0.957
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No