Information card for entry 4105203

Structure parameters

• Formula: C24 H28 Br N O4
• Calculated formula: C24 H28 Br N O4
• SMILES: Brc1cc(cc2[C@@H](CC(=O)N(c12)Cc1ccc(OC)cc1)CC(=O)OC(C)(C)C)C
• Title of publication: Synthesis of Highly Enantioenriched 3,4-Dihydroquinolin-2-ones by 6-Exo-trig Radical Cyclizations of Axially Chiral α-Halo-ortho-alkenyl Anilides
• Authors of publication: David B. Guthrie; Steven J. Geib; Dennis P. Curran
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2009
• Journal volume: 131
• Pages of publication: 15492 - 15500
• a: 10.5601 ± 0.0018 Å
• b: 7.3873 ± 0.0013 Å
• c: 14.727 ± 0.003 Å
• α: 90°
• β: 101.49 ± 0.004°
• γ: 90°
• Cell volume: 1125.8 ± 0.4 ų
• Cell temperature: 203 ± 2 K
• Ambient diffraction temperature: 203 ± 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: 0.0747
• Residual factor for significantly intense reflections: 0.05
• Weighted residual factors for significantly intense reflections: 0.1159
• Weighted residual factors for all reflections included in the refinement: 0.1338
• Goodness-of-fit parameter for all reflections included in the refinement: 0.823
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No