Information card for entry 7712657

Structure parameters

• Formula: C30 H23 N5 O
• Calculated formula: C30 H23 N5 O
• SMILES: O(c1cc2/C(NC(=N/c3nccc(C)c3)\c2cc1)=N/c1nccc(c1)C)c1ccc2c(c1)cccc2
• Title of publication: Synthesis, fabrication and characterization of 2-naphthyloxy group-substituted bis(2-pyridylimino)isoindoline and its derivatives as a positive electrode for vanadium redox flow battery applications.
• Authors of publication: Gümrükçü, Selin; Özçeşmeci, Mukaddes; Koçyiğit, Nilüfer; Kaya, Kerem; Gül, Ahmet; Şahin, Yücel; Özçeşmeci, İbrahim
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2023
• Journal volume: 52
• Journal issue: 16
• Pages of publication: 5265 - 5276
• a: 6.3202 ± 0.0003 Å
• b: 10.3082 ± 0.0005 Å
• c: 19.4392 ± 0.0009 Å
• α: 82.097 ± 0.002°
• β: 83.015 ± 0.002°
• γ: 79.848 ± 0.002°
• Cell volume: 1228.62 ± 0.1 ų
• Cell temperature: 306 ± 2 K
• Ambient diffraction temperature: 306 ± 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: 0.0715
• Residual factor for significantly intense reflections: 0.0448
• Weighted residual factors for significantly intense reflections: 0.1111
• Weighted residual factors for all reflections included in the refinement: 0.1275
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No