Information card for entry 1554651

Structure parameters

• Formula: C20 H22 B F2 N3 O
• Calculated formula: C20 H22 B F2 N3 O
• SMILES: [B]1(F)(F)[n]2c(C)cc(c2=C(c2c(cc(C)n12)C)C(=O)c1c(cc(C)[nH]1)C)C
• Title of publication: A novel family of AIE-active meso-2-ketopyrrolyl BODIPYs: bright solid-state red fluorescence, morphological properties and application as viscosimeters in live cells
• Authors of publication: Yu, Changjiang; Huang, Zhenlong; Gu, Wei; Wu, Qinghua; Hao, Erhong; Xiao, Yi; Jiao, Lijuan; Wong, Wai-Yeung
• Journal of publication: Materials Chemistry Frontiers
• Year of publication: 2019
• Journal volume: 3
• Journal issue: 9
• Pages of publication: 1823
• a: 12.8894 ± 0.0018 Å
• b: 9.0135 ± 0.0012 Å
• c: 31.806 ± 0.004 Å
• α: 90°
• β: 93.146 ± 0.002°
• γ: 90°
• Cell volume: 3689.6 ± 0.8 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0618
• Residual factor for significantly intense reflections: 0.0458
• Weighted residual factors for significantly intense reflections: 0.13
• Weighted residual factors for all reflections included in the refinement: 0.1441
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No