Information card for entry 4123440

Structure parameters

• Formula: C26 H31 Br N2 O3
• Calculated formula: C26 H31 Br N2 O3
• SMILES: Brc1ccc(N(C)C[C@@H](c2ccc(OC)cc2)CC(=O)[O-])cc1.[NH3+][C@@H](C)c1ccccc1
• Title of publication: Enantioselective Conjugate Additions of α-Amino Radicals via Cooperative Photoredox and Lewis Acid Catalysis.
• Authors of publication: Ruiz Espelt, Laura; McPherson, Iain S.; Wiensch, Eric M.; Yoon, Tehshik P.
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2015
• Journal volume: 137
• Journal issue: 7
• Pages of publication: 2452 - 2455
• a: 6.426 ± 0.002 Å
• b: 18.229 ± 0.007 Å
• c: 20.879 ± 0.007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2445.8 ± 1.5 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 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: 0.0484
• Residual factor for significantly intense reflections: 0.0362
• Weighted residual factors for significantly intense reflections: 0.0721
• Weighted residual factors for all reflections included in the refinement: 0.076
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No