Information card for entry 7056248

Structure parameters

• Formula: C26 H16 N4 O4
• Calculated formula: C26 H16 N4 O4
• SMILES: c1cnccc1CN1C(=O)c2c3c(C1=O)ccc1C(=O)N(Cc4ccncc4)C(=O)c(c31)cc2
• Title of publication: Supramolecular structural transformation of N, N´-bis(4-pyridylmethyl)-naphthalene diimide and fluorescence water sensing
• Authors of publication: Li, Guo-bi; Yang, Qing Yuan; Pan, Rongkai; Liu, Sheng-Gui; xu, yaowei
• Journal of publication: New J. Chem.
• Year of publication: 2017
• Journal volume: 41
• Journal issue: 14
• Pages of publication: 6160 - 6166
• a: 5.588 ± 0.003 Å
• b: 7.545 ± 0.004 Å
• c: 11.984 ± 0.006 Å
• α: 77.113 ± 0.011°
• β: 88.392 ± 0.013°
• γ: 87.412 ± 0.012°
• Cell volume: 491.9 ± 0.4 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: 0.0669
• Residual factor for significantly intense reflections: 0.0456
• Weighted residual factors for significantly intense reflections: 0.1067
• Weighted residual factors for all reflections included in the refinement: 0.1164
• Goodness-of-fit parameter for all reflections included in the refinement: 1.001
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No