Information card for entry 7063221

Structure parameters

• Formula: C22 H23 Br2 N O3
• Calculated formula: C22 H23 Br2 N O3
• Title of publication: Rh2(esp)2-catalyzed three-component reaction of diazo compound, alkyl azide and allylboronate for synthesis of homoallylic amine derivatives
• Authors of publication: Zeyu, Yi; Sun, Na; Gu, Peiming; Ji, Yang; Li, Rui
• Journal of publication: New Journal of Chemistry
• Year of publication: 2024
• a: 8.149 ± 0.003 Å
• b: 9.669 ± 0.003 Å
• c: 14.769 ± 0.004 Å
• α: 101.961 ± 0.009°
• β: 96.161 ± 0.01°
• γ: 95.866 ± 0.01°
• Cell volume: 1122.5 ± 0.6 ų
• Cell temperature: 300 K
• Ambient diffraction temperature: 300 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0713
• Residual factor for significantly intense reflections: 0.0463
• Weighted residual factors for significantly intense reflections: 0.1361
• Weighted residual factors for all reflections included in the refinement: 0.1575
• Goodness-of-fit parameter for all reflections included in the refinement: 1.093
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No