Information card for entry 4103463

Structure parameters

• Formula: C33 H24 Br N O3
• Calculated formula: C33 H24 Br N O3
• SMILES: Brc1ccc(C(=O)N2C(=O)[C@@](c3cc(OC)ccc23)(Cc2cccc3ccccc23)c2ccccc2)cc1
• Title of publication: Palladium-Catalyzed Asymmetric Benzylation of 3-Aryl Oxindoles
• Authors of publication: Barry M. Trost; Lara C. Czabaniuk
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2010
• Journal volume: 132
• Pages of publication: 15534 - 15536
• a: 10.0655 ± 0.0007 Å
• b: 10.9316 ± 0.0008 Å
• c: 23.7249 ± 0.0017 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2610.5 ± 0.3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.0325
• Residual factor for significantly intense reflections: 0.0258
• Weighted residual factors for significantly intense reflections: 0.0562
• Weighted residual factors for all reflections included in the refinement: 0.0579
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No