Information card for entry 7153435

Structure parameters

• Formula: C15 H10 N2 O2
• Calculated formula: C15 H10 N2 O2
• SMILES: c12ccccc1C(=O)N1C(c3c(C=N1)cccc3)O2
• Title of publication: A selective, cell-permeable fluorescent probe for Al3+ in living cells.
• Authors of publication: Wang, Lina; Qin, Wenwu; Tang, Xiaoliang; Dou, Wei; Liu, Weisheng; Teng, Qingfeng; Yao, Xiaojun
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2010
• Journal volume: 8
• Journal issue: 16
• Pages of publication: 3751 - 3757
• a: 12.022 ± 0.005 Å
• b: 11.403 ± 0.005 Å
• c: 17.406 ± 0.01 Å
• α: 90°
• β: 95.445 ± 0.011°
• γ: 90°
• Cell volume: 2375 ± 2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.1002
• Residual factor for significantly intense reflections: 0.0703
• Weighted residual factors for significantly intense reflections: 0.1604
• Weighted residual factors for all reflections included in the refinement: 0.1826
• Goodness-of-fit parameter for all reflections included in the refinement: 1.016
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No