Information card for entry 7251226

Structure parameters

• Formula: C22 H23 Br N2 O2
• Calculated formula: C22 H23 Br N2 O2
• Title of publication: Linear Paired Electrolysis Enabled Dearomative [3 + 2] Cycloadditions of Indoles and Benzofurans with Vinyl Azides †
• Authors of publication: Yang, Shaoxiong; Zhu, Yanren; Pu, Enfan; Jiang, Piaopiao; Li, Xiong; Zhang, Hongbin; Chen, Jingbo
• Journal of publication: Green Chemistry
• Year of publication: 2025
• a: 10.7771 ± 0.0005 Å
• b: 15.1534 ± 0.0006 Å
• c: 12.5418 ± 0.0005 Å
• α: 90°
• β: 105.628 ± 0.002°
• γ: 90°
• Cell volume: 1972.48 ± 0.15 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 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: 0.0378
• Residual factor for significantly intense reflections: 0.0283
• Weighted residual factors for significantly intense reflections: 0.0598
• Weighted residual factors for all reflections included in the refinement: 0.0641
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No