Information card for entry 7152837

Structure parameters

• Formula: C24 H25 Br N2 O4
• Calculated formula: C24 H25 Br N2 O4
• SMILES: Brc1ccc2N(C(=O)[C@@](NC(=O)OC(C)(C)C)(c2c1)C(=C)C(=O)C)Cc1ccccc1
• Title of publication: Asymmetric catalytic aza-Morita-Baylis-Hillman reaction for the synthesis of 3-substituted-3-aminooxindoles with chiral quaternary carbon centers.
• Authors of publication: Hu, Fang-Le; Wei, Yin; Shi, Min; Pindi, Suresh; Li, Guigen
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2013
• Journal volume: 11
• Journal issue: 12
• Pages of publication: 1921 - 1924
• a: 18.4983 ± 0.0019 Å
• b: 9.7453 ± 0.001 Å
• c: 14.3824 ± 0.0015 Å
• α: 90°
• β: 117.709 ± 0.002°
• γ: 90°
• Cell volume: 2295.4 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 5
• Hermann-Mauguin space group symbol: C 1 2 1
• Hall space group symbol: C 2y
• Residual factor for all reflections: 0.0407
• Residual factor for significantly intense reflections: 0.0353
• Weighted residual factors for significantly intense reflections: 0.0785
• Weighted residual factors for all reflections included in the refinement: 0.0806
• Goodness-of-fit parameter for all reflections included in the refinement: 0.97
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No