Information card for entry 7117656

Structure parameters

• Formula: C27 H26 B Cl2 F2 N3
• Calculated formula: C27 H26 B Cl2 F2 N3
• SMILES: [B]1(F)(F)[n]2c(=C(c3c(cc(/C=C/c4cc(ccc4)N)n13)C)c1ccccc1)c(C)cc2C.ClCCl
• Title of publication: A BODIPY-based 'turn-on' fluorescent probe for hypoxic cell imaging
• Authors of publication: Sisi Wang; Hui Liu; John Mack; Jiangwei Tian; Bin Zou; Hua Lu; Zhifang Li; Jianxiong Jiang; Zhen Shen
• Journal of publication: Chem.Commun.
• Year of publication: 2015
• Journal volume: 51
• Pages of publication: 13389
• a: 19.318 ± 0.004 Å
• b: 7.0637 ± 0.0014 Å
• c: 19.042 ± 0.004 Å
• α: 90°
• β: 101.007 ± 0.004°
• γ: 90°
• Cell volume: 2550.6 ± 0.9 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 6
• 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: 0.1362
• Residual factor for significantly intense reflections: 0.089
• Weighted residual factors for significantly intense reflections: 0.2616
• Weighted residual factors for all reflections included in the refinement: 0.3108
• Goodness-of-fit parameter for all reflections included in the refinement: 1.074
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No