Information card for entry 7123210

Structure parameters

• Formula: C26 H31 B Cl2 F2 N2
• Calculated formula: C26 H31 B Cl2 F2 N2
• 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: 11.2888 ± 0.0006 Å
• b: 6.6366 ± 0.0003 Å
• c: 36.0796 ± 0.0018 Å
• α: 90°
• β: 95.894 ± 0.002°
• γ: 90°
• Cell volume: 2688.8 ± 0.2 ų
• Cell temperature: 298.15 K
• Ambient diffraction temperature: 298.15 K
• Number of distinct elements: 6
• 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: 0.0889
• Residual factor for significantly intense reflections: 0.0609
• Weighted residual factors for significantly intense reflections: 0.1333
• Weighted residual factors for all reflections included in the refinement: 0.1483
• Goodness-of-fit parameter for all reflections included in the refinement: 1.058
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No