Information card for entry 7160490

Structure parameters

• Formula: C40 H34 F6 O10
• Calculated formula: C40 H34 F6 O10
• 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: 5.5852 ± 0.001 Å
• b: 8.4012 ± 0.0014 Å
• c: 18.79 ± 0.003 Å
• α: 83.603 ± 0.006°
• β: 82.238 ± 0.006°
• γ: 89.317 ± 0.007°
• Cell volume: 868.1 ± 0.3 ų
• Cell temperature: 103 ± 2 K
• Ambient diffraction temperature: 103 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: 0.0353
• Residual factor for significantly intense reflections: 0.0324
• Weighted residual factors for significantly intense reflections: 0.082
• Weighted residual factors for all reflections included in the refinement: 0.0844
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No