Information card for entry 7062293

Structure parameters

• Formula: C26 H17 F O2
• Calculated formula: C26 H17 F O2
• SMILES: Fc1cc(C(=O)/C=C/c2ccc3ccc4cccc5ccc2c3c45)ccc1OC
• Title of publication: Involvement of halogen and polyaromatic substituents in chalcone derivatives as dye sensitizers in solar cell applications
• Authors of publication: Nizar, Siti Nabilla Aliya Mohd; Rosli, Mohd Mustaqim; Samsuri, Siti Azrah Mohamad; Razak, Ibrahim Abdul; Arshad, Suhana
• Journal of publication: New Journal of Chemistry
• Year of publication: 2023
• Journal volume: 47
• Journal issue: 12
• Pages of publication: 5804 - 5815
• a: 7.506 ± 0.004 Å
• b: 9.968 ± 0.005 Å
• c: 12.308 ± 0.006 Å
• α: 97.824 ± 0.008°
• β: 102.058 ± 0.007°
• γ: 98.891 ± 0.007°
• Cell volume: 876.1 ± 0.8 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: 0.167
• Residual factor for significantly intense reflections: 0.0705
• Weighted residual factors for significantly intense reflections: 0.1646
• Weighted residual factors for all reflections included in the refinement: 0.2311
• Goodness-of-fit parameter for all reflections included in the refinement: 1.012
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No