Information card for entry 7062119

Structure parameters

• Formula: C24 H23 N3 O10
• Calculated formula: C24 H23 N3 O10
• SMILES: O=C(O)c1cc(C(=O)[O-])cc(C(=O)[O-])c1c1cc(nc(c1)c1[nH+]cccc1)c1[nH+]cccc1.O.O.O.O
• Title of publication: Comparative study on proton conductivity of a polypyridinyl multicarboxylate-based hydrogen-bonded organic framework and related chitosan composite membrane
• Authors of publication: Kang, Lu-Lu; Zuo, Shuai-Wu; Han, Bing-Xue; Li, Gang
• Journal of publication: New Journal of Chemistry
• Year of publication: 2023
• Journal volume: 47
• Journal issue: 3
• Pages of publication: 1299 - 1307
• a: 7.9842 ± 0.0003 Å
• b: 18.7164 ± 0.0007 Å
• c: 15.8121 ± 0.0005 Å
• α: 90°
• β: 92.417 ± 0.003°
• γ: 90°
• Cell volume: 2360.79 ± 0.15 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: 0.0899
• Residual factor for significantly intense reflections: 0.0658
• Weighted residual factors for significantly intense reflections: 0.1769
• Weighted residual factors for all reflections included in the refinement: 0.2002
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No