Information card for entry 7056249

Structure parameters

• Formula: C26 H16 N4 O6
• Calculated formula: C26 H20 N4 O6
• SMILES: C1(=O)c2ccc3c4c(C(=O)N(Cc5ccncc5)C3=O)ccc(c24)C(=O)N1Cc1ccncc1.O.O
• 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: 27.561 ± 0.003 Å
• b: 4.6812 ± 0.0002 Å
• c: 21.646 ± 0.004 Å
• α: 90°
• β: 128.914 ± 0.017°
• γ: 90°
• Cell volume: 2173 ± 0.7 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0383
• Residual factor for significantly intense reflections: 0.0366
• Weighted residual factors for significantly intense reflections: 0.1021
• Weighted residual factors for all reflections included in the refinement: 0.1045
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No