Information card for entry 7151766

Structure parameters

• Formula: C19 H19 B F2 N2 O
• Calculated formula: C19 H19 B F2 N2 O
• SMILES: n12c(C)cc(C)c1C(=c1[n](c(cc1C)C)[B]2(F)F)c1c(O)cccc1
• Title of publication: Highly selective fluorescent OFF-ON thiol probes based on dyads of BODIPY and potent intramolecular electron sink 2,4-dinitrobenzenesulfonyl subunits.
• Authors of publication: Guo, Huimin; Jing, Yingying; Yuan, Xiaolin; Ji, Shaomin; Zhao, Jianzhang; Li, Xiaohuan; Kan, Yanyan
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2011
• Journal volume: 9
• Journal issue: 10
• Pages of publication: 3844 - 3853
• a: 10.834 ± 0.01 Å
• b: 12.591 ± 0.012 Å
• c: 13.097 ± 0.012 Å
• α: 90°
• β: 105.513 ± 0.012°
• γ: 90°
• Cell volume: 1721 ± 3 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 2 K
• Number of distinct elements: 6
• 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: 0.1724
• Residual factor for significantly intense reflections: 0.0683
• Weighted residual factors for significantly intense reflections: 0.158
• Weighted residual factors for all reflections included in the refinement: 0.2024
• Goodness-of-fit parameter for all reflections included in the refinement: 0.916
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No