Information card for entry 7062294

Structure parameters

• Formula: C25 H15 Br O
• Calculated formula: C25 H15 Br O
• SMILES: Brc1ccc(C(=O)/C=C/c2ccc3ccc4cccc5ccc2c3c45)cc1
• 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: 30.6 ± 0.03 Å
• b: 5.318 ± 0.005 Å
• c: 20.809 ± 0.017 Å
• α: 90°
• β: 92.487 ± 0.015°
• γ: 90°
• Cell volume: 3383 ± 5 ų
• Cell temperature: 296 ± 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: 0.2743
• Residual factor for significantly intense reflections: 0.0872
• Weighted residual factors for significantly intense reflections: 0.1642
• Weighted residual factors for all reflections included in the refinement: 0.2499
• Goodness-of-fit parameter for all reflections included in the refinement: 1.004
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No