Information card for entry 7107710

Structure parameters

• Formula: C33 H27 Br N2 O3
• Calculated formula: C33 H27 Br N2 O3
• SMILES: Brc1cc2N(Cc3ccccc3)C(=O)[C@@](c2cc1)(Cc1ccccc1)[C@@H]1C(=O)N(C(=O)C1)Cc1ccccc1
• Title of publication: Bicyclic guanidine-catalyzed asymmetric Michael additions of 3-benzyl-substituted oxindoles to N-maleimides
• Authors of publication: Lixin Li; Wenchao Chen; Wenguo Yang; Yuanhang Pan; Hongjun Liu; Choon-Hong Tan; Zhiyong Jiang
• Journal of publication: Chem.Commun.
• Year of publication: 2012
• Journal volume: 48
• Pages of publication: 5124
• a: 11.654 ± 0.011 Å
• b: 8.99 ± 0.008 Å
• c: 14.054 ± 0.013 Å
• α: 90°
• β: 108.273 ± 0.017°
• γ: 90°
• Cell volume: 1398 ± 2 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: 0.0731
• Residual factor for significantly intense reflections: 0.0386
• Weighted residual factors for significantly intense reflections: 0.0731
• Weighted residual factors for all reflections included in the refinement: 0.0798
• Goodness-of-fit parameter for all reflections included in the refinement: 0.843
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No