Information card for entry 1542645

Structure parameters

• Formula: C30 H25 B F2 N2
• Calculated formula: C30 H25 B F2 N2
• SMILES: c1(ccccc1)c1ccc2C(=c3ccc(c4ccccc4)[n]3[B](F)(F)n12)c1c(cc(cc1C)C)C
• Title of publication: Metal-Free Direct α-Selective Arylation of Boron Dipyrromethenes via Base-Mediated C-H Functionalization.
• Authors of publication: Zhou, Xin; Wu, Qinghua; Yu, Yang; Yu, Changjiang; Hao, Erhong; Wei, Yun; Mu, Xiaolong; Jiao, Lijuan
• Journal of publication: Organic letters
• Year of publication: 2016
• Journal volume: 18
• Journal issue: 4
• Pages of publication: 736 - 739
• a: 13.143 ± 0.0018 Å
• b: 13.3965 ± 0.0019 Å
• c: 15.473 ± 0.002 Å
• α: 67.831 ± 0.002°
• β: 78.64 ± 0.002°
• γ: 87.648 ± 0.002°
• Cell volume: 2471.8 ± 0.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1758
• Residual factor for significantly intense reflections: 0.09
• Weighted residual factors for significantly intense reflections: 0.272
• Weighted residual factors for all reflections included in the refinement: 0.3361
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No