Information card for entry 7134767

Structure parameters

• Formula: C22 H17 Br N O3
• Calculated formula: C22 H17 Br N O3
• Title of publication: Cycloaddition of bicyclo[1.1.0]butanes with enamides for the efficient synthesis of 2-amino-bicyclo[2.1.1]hexanes.
• Authors of publication: Zhu, Yanren; Yang, Shaoxiong; Chen, Huiyu; Zhang, Fang; Pu, Enfan; Jiang, Piaopiao; Jin, Yi; Zhang, Hongbin; Chen, Jingbo
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2025
• Journal volume: 61
• Journal issue: 61
• Pages of publication: 11493 - 11496
• a: 7.4907 ± 0.0003 Å
• b: 15.9278 ± 0.0007 Å
• c: 7.9606 ± 0.0005 Å
• α: 90°
• β: 101.271 ± 0.002°
• γ: 90°
• Cell volume: 931.46 ± 0.08 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100.15 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: 0.0422
• Residual factor for significantly intense reflections: 0.0382
• Weighted residual factors for significantly intense reflections: 0.0926
• Weighted residual factors for all reflections included in the refinement: 0.0948
• Goodness-of-fit parameter for all reflections included in the refinement: 1.11
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No