Information card for entry 7133082

Structure parameters

• Formula: C25 H22 Br N3 O
• Calculated formula: C25 H22 Br N3 O
• SMILES: c1cc2cc(ccc2n1C[C@@H](c1ccccc1)N1[C@H](CC(=O)N1)c1ccccc1)Br.c1cc2cc(ccc2n1C[C@H](c1ccccc1)N1[C@@H](CC(=O)N1)c1ccccc1)Br
• Title of publication: Iron-catalyzed decarboxylative radical addition to chiral azomethine imines upon visible light.
• Authors of publication: Fall, Arona; Magdei, Mihaela; Savchuk, Mariia; Oudeyer, Sylvain; Beucher, Hélène; Brière, Jean-François
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2024
• Journal volume: 60
• Journal issue: 49
• Pages of publication: 6316 - 6319
• a: 5.946 ± 0.0002 Å
• b: 22.981 ± 0.0006 Å
• c: 16.1913 ± 0.0004 Å
• α: 90°
• β: 96.653 ± 0.001°
• γ: 90°
• Cell volume: 2197.56 ± 0.11 ų
• Cell temperature: 300 ± 2 K
• Ambient diffraction temperature: 300 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0712
• Residual factor for significantly intense reflections: 0.0668
• Weighted residual factors for significantly intense reflections: 0.2173
• Weighted residual factors for all reflections included in the refinement: 0.222
• Goodness-of-fit parameter for all reflections included in the refinement: 1.083
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No