Information card for entry 7060808

Structure parameters

• Chemical name: 1E,4E-1-(4-fluorophenyl)-5-(2,6,6-trimethylcyclohexen-1-yl)penta-1,4-dien-3-one
• Formula: C20 H23 F O
• Calculated formula: C20 H23 F O
• Title of publication: Alternative mechanisms of action for the apoptotic activity of terpenoid-like chalcone derivatives
• Authors of publication: Custodio, Jean M. F.; Vaz, Wesley F.; Bernardes, Aline; Moura, Andrea F.; Oliver, Allen G.; Molnár, Szilárd; Perjési, Pál; Noda-Perez, Caridad
• Journal of publication: New Journal of Chemistry
• Year of publication: 2021
• Journal volume: 45
• Journal issue: 34
• Pages of publication: 15267 - 15279
• a: 21.691 ± 0.003 Å
• b: 14.305 ± 0.003 Å
• c: 10.6099 ± 0.0014 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3292.1 ± 0.9 ų
• Cell temperature: 296.15 K
• Ambient diffraction temperature: 296.15 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0815
• Residual factor for significantly intense reflections: 0.0458
• Weighted residual factors for significantly intense reflections: 0.0894
• Weighted residual factors for all reflections included in the refinement: 0.101
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No