Information card for entry 7250849

Structure parameters

• Formula: C14 H10 Br F O
• Calculated formula: C14 H10 Br F O
• Title of publication: Base mediated approach for the synthesis of deoxybenzoins using γ-aryl-β-ketoesters and benzoyl chlorides
• Authors of publication: Choudhary, Shailendra Singh; Darole, Ratanamala S.; Krishna, Gamidi Rama; Senthilkumar, Beeran
• Journal of publication: RSC Advances
• Year of publication: 2025
• Journal volume: 15
• Journal issue: 39
• Pages of publication: 32424 - 32430
• a: 28.7831 ± 0.0018 Å
• b: 10.638 ± 0.0006 Å
• c: 8.1073 ± 0.0005 Å
• α: 90°
• β: 99.183 ± 0.002°
• γ: 90°
• Cell volume: 2450.6 ± 0.3 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 K
• Number of distinct elements: 5
• 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: 0.0641
• Residual factor for significantly intense reflections: 0.0459
• Weighted residual factors for significantly intense reflections: 0.1067
• Weighted residual factors for all reflections included in the refinement: 0.1204
• Goodness-of-fit parameter for all reflections included in the refinement: 1.056
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No