Information card for entry 7123211

Structure parameters

• Formula: C22 H17 B Br Cl2 F2 N3
• Calculated formula: C22 H17 B Br Cl2 F2 N3
• Title of publication: Development of BODIPY Dyes with Versatile Functional Groups at 3,5-Positions from Diacyl Peroxides via Cu(II)-Catalyzed Radical Alkylation
• Authors of publication: Tang, Bing; Lv, Fan; Chen, Kangkang; Jiao, Lijuan; Liu, Qingyun; Wang, Hua; Hao, Erhong
• Journal of publication: Chemical Communications
• Year of publication: 2019
• a: 7.004 ± 0.0014 Å
• b: 14.206 ± 0.003 Å
• c: 22.139 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2202.8 ± 0.8 ų
• Cell temperature: 298.15 K
• Ambient diffraction temperature: 298.15 K
• Number of distinct elements: 7
• 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: 0.0985
• Residual factor for significantly intense reflections: 0.0688
• Weighted residual factors for significantly intense reflections: 0.1477
• Weighted residual factors for all reflections included in the refinement: 0.1652
• Goodness-of-fit parameter for all reflections included in the refinement: 1.139
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No