Information card for entry 7054658

Structure parameters

• Formula: C26 H20 Cl F N4 O2
• Calculated formula: C26 H20 Cl F N4 O2
• SMILES: c1(OC)ccc(cc1)C(=N\Nc1cc(Cl)ccc1Oc1ccccc1)\N=Nc1ccc(F)cc1
• Title of publication: Synthesis, crystal structure, optical and electrochemical properties of novel diphenylether-based formazan derivatives
• Authors of publication: Turkoglu, Gulsen; Berber, Halil; Kani, Ibrahim
• Journal of publication: New J. Chem.
• Year of publication: 2015
• Journal volume: 39
• Journal issue: 4
• Pages of publication: 2728
• a: 7.8846 ± 0.0003 Å
• b: 27.1172 ± 0.0012 Å
• c: 20.7714 ± 0.0009 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4441.1 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.1504
• Residual factor for significantly intense reflections: 0.0522
• Weighted residual factors for significantly intense reflections: 0.1038
• Weighted residual factors for all reflections included in the refinement: 0.1506
• Goodness-of-fit parameter for all reflections included in the refinement: 1.018
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No