Information card for entry 7112760

Structure parameters

• Common name: (E)-2-(4-Hydroxyphenylimino)-4-methyl-7-acetamidyl-1,8- naphthyridine
• Formula: C18 H16 N4 O2.5
• Calculated formula: C18 H16 N4 O2.5
• SMILES: O.n1c2nc(NC(=O)C)ccc2c(cc1/C=N/c1ccc(O)cc1)C
• Title of publication: A "switching on" fluorescent chemodosimeter of selectivity to Zn2+ and its application to MCF-7 cells.
• Authors of publication: Li, Zhanxian; Yu, Mingming; Zhang, Lifeng; Yu, Ming; Liu, Jinxia; Wei, Liuhe; Zhang, Hongyan
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2010
• Journal volume: 46
• Journal issue: 38
• Pages of publication: 7169 - 7171
• a: 7.5496 ± 0.0015 Å
• b: 13.657 ± 0.003 Å
• c: 30.427 ± 0.006 Å
• α: 90 ± 0.03°
• β: 90 ± 0.03°
• γ: 90 ± 0.03°
• Cell volume: 3137.2 ± 1.1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1322
• Residual factor for significantly intense reflections: 0.0937
• Weighted residual factors for significantly intense reflections: 0.1995
• Weighted residual factors for all reflections included in the refinement: 0.2247
• Goodness-of-fit parameter for all reflections included in the refinement: 1.195
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No