Information card for entry 7250848

Structure parameters

• Formula: C14 H9 F3 O
• Calculated formula: C14 H9 F3 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: 12.821 ± 0.005 Å
• b: 8.643 ± 0.003 Å
• c: 10.145 ± 0.004 Å
• α: 90°
• β: 98.224 ± 0.012°
• γ: 90°
• Cell volume: 1112.6 ± 0.7 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1218
• Residual factor for significantly intense reflections: 0.064
• Weighted residual factors for significantly intense reflections: 0.1429
• Weighted residual factors for all reflections included in the refinement: 0.1719
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No