Information card for entry 4038511

Structure parameters

• Formula: C24 H26 B Br2 F2 N3
• Calculated formula: C24 H26 B Br2 F2 N3
• SMILES: [B]1(F)(F)[n]2cc(Br)cc2=C(c2cc(Br)c(/C=C/N(CC)CC)n12)c1c(cc(cc1C)C)C
• Title of publication: Visible Light Excitation of BODIPYs Enables Dehydrogenative Enamination at Their α-Positions with Aliphatic Amines.
• Authors of publication: Wang, Dandan; Guo, Xing; Wu, Hao; Wu, Qinghua; Wang, Hua; Zhang, Xiankang; Hao, Erhong; Jiao, Lijuan
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2020
• Journal volume: 85
• Journal issue: 13
• Pages of publication: 8360 - 8370
• a: 9.656 ± 0.002 Å
• b: 14.574 ± 0.004 Å
• c: 17.635 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2481.7 ± 1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• 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: 0.0805
• Residual factor for significantly intense reflections: 0.0458
• Weighted residual factors for significantly intense reflections: 0.1017
• Weighted residual factors for all reflections included in the refinement: 0.1172
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No