Information card for entry 7160489

Structure parameters

• Formula: C20 H17 F3 O4
• Calculated formula: C20 H17 F3 O4
• Title of publication: Accessing polysubstituted 2-cyclopentenones <i>via</i> base-mediated annulation of β-keto esters and phenacyl bromides.
• Authors of publication: Kumar, Mohit; Paul, Vincent; Gamidi, Rama Krishna; Senthilkumar, Beeran
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2025
• Journal volume: 23
• Journal issue: 18
• Pages of publication: 4519 - 4524
• a: 38.22 ± 0.009 Å
• b: 5.6457 ± 0.0012 Å
• c: 16.281 ± 0.004 Å
• α: 90°
• β: 99.503 ± 0.008°
• γ: 90°
• Cell volume: 3464.9 ± 1.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 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: 0.1178
• Residual factor for significantly intense reflections: 0.0982
• Weighted residual factors for significantly intense reflections: 0.192
• Weighted residual factors for all reflections included in the refinement: 0.2011
• Goodness-of-fit parameter for all reflections included in the refinement: 1.242
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No