Information card for entry 7128880

Structure parameters

• Formula: C36 H30 B2 Cl2 F4 N4
• Calculated formula: C36 H30 B2 Cl2 F4 N4
• Title of publication: FeCl₃-promoted regioselective synthesis of BODIPY dimers through oxidative aromatic homocoupling reactions.
• Authors of publication: Kang, Zhengxin; Wu, Qinghua; Guo, Xing; Wang, Long; Ye, Yin; Yu, Changjiang; Wang, Hua; Hao, Erhong; Jiao, Lijuan
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2021
• Journal volume: 57
• Journal issue: 77
• Pages of publication: 9886 - 9889
• a: 15.1048 ± 0.0005 Å
• b: 12.2629 ± 0.0004 Å
• c: 18.3629 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3401.34 ± 0.19 ų
• Cell temperature: 273.15 K
• Ambient diffraction temperature: 273.15 K
• Number of distinct elements: 6
• Space group number: 60
• Hermann-Mauguin space group symbol: P b c n
• Hall space group symbol: -P 2n 2ab
• Residual factor for all reflections: 0.0892
• Residual factor for significantly intense reflections: 0.0713
• Weighted residual factors for significantly intense reflections: 0.1365
• Weighted residual factors for all reflections included in the refinement: 0.1492
• Goodness-of-fit parameter for all reflections included in the refinement: 1.11
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No