Information card for entry 4038510

Structure parameters

• Formula: C21 H17 B F7 N3
• Calculated formula: C21 H17 B F7 N3
• SMILES: F[B]1(F)[n]2c(ccc2=C(c2c(F)c(F)c(F)c(F)c2F)c2n1ccc2)/C=C/N(CC)CC
• 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: 18.1713 ± 0.0007 Å
• b: 13.699 ± 0.0005 Å
• c: 8.3562 ± 0.0003 Å
• α: 90°
• β: 97.785 ± 0.002°
• γ: 90°
• Cell volume: 2060.93 ± 0.13 ų
• Cell temperature: 273.15 K
• Ambient diffraction temperature: 273.15 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: 0.0936
• Residual factor for significantly intense reflections: 0.0652
• Weighted residual factors for significantly intense reflections: 0.1718
• Weighted residual factors for all reflections included in the refinement: 0.2038
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No