Information card for entry 7219758

Structure parameters

• Formula: C20 H18 N2 O4
• Calculated formula: C20 H18 N2 O4
• SMILES: n1c(/C=N/c2c(O)cccc2)ccc2c1c(OCC(=O)OCC)ccc2
• Title of publication: Naked-eye-based selective detection of pyrophosphate with Zn2+ complex in aqueous solution and electrospun nanofibers
• Authors of publication: Li, Zhanxian; Zhang, Wenying; Liu, Xingjiang; Liu, Chunxia; Yu, Mingming; Wei, Liuhe
• Journal of publication: RSC Adv.
• Year of publication: 2015
• a: 17.9227 ± 0.0013 Å
• b: 5.0106 ± 0.0003 Å
• c: 20.9309 ± 0.0016 Å
• α: 90°
• β: 114.168 ± 0.009°
• γ: 90°
• Cell volume: 1714.9 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• 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: 0.1041
• Residual factor for significantly intense reflections: 0.0552
• Weighted residual factors for significantly intense reflections: 0.1305
• Weighted residual factors for all reflections included in the refinement: 0.1498
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No