Information card for entry 4114895

Structure parameters

• Formula: C20 H20 Br N O3
• Calculated formula: C20 H20 Br N O3
• SMILES: Brc1ccccc1[C@H](C=C)[C@](NC(=O)c1ccccc1)(C)C(=O)OC
• Title of publication: Synthesis of Novel Quaternary Amino Acids Using Molybdenum-Catalyzed Asymmetric Allylic Alkylation
• Authors of publication: Barry M. Trost; Kalindi Dogra
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2002
• Journal volume: 124
• Pages of publication: 7256 - 7257
• a: 11.21 ± 0 Å
• b: 7.938 ± 0.001 Å
• c: 11.76 ± 0 Å
• α: 90°
• β: 114.33 ± 0°
• γ: 90°
• Cell volume: 953.52 ± 0.12 ų
• Cell temperature: 273.1 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 significantly intense reflections: 0.033
• Weighted residual factors for all reflections included in the refinement: 0.082
• Goodness-of-fit parameter for all reflections included in the refinement: 0.721
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No