Information card for entry 7056922

Structure parameters

• Formula: C17 H16 B F2 N3
• Calculated formula: C17 H16 B F2 N3
• SMILES: c1ccc2C(=c3ccc[n]3[B](n12)(F)F)c1ccc(cc1)N(C)C
• Title of publication: A “turn-on-and-off” pH sensitive BODIPY fluorescent probe for imaging E. coli cells
• Authors of publication: Prasannan, Dijo; Arunkumar, Chellaiah
• Journal of publication: New Journal of Chemistry
• Year of publication: 2018
• Journal volume: 42
• Journal issue: 5
• Pages of publication: 3473
• a: 12.2654 ± 0.0011 Å
• b: 10.5756 ± 0.001 Å
• c: 13.3074 ± 0.0012 Å
• α: 90°
• β: 116.339 ± 0.002°
• γ: 90°
• Cell volume: 1547 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0751
• Residual factor for significantly intense reflections: 0.0392
• Weighted residual factors for significantly intense reflections: 0.0882
• Weighted residual factors for all reflections included in the refinement: 0.1122
• Goodness-of-fit parameter for all reflections included in the refinement: 1.084
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No