Information card for entry 2021122

Structure parameters

• Chemical name: (5<i>E</i>)-3-(4-<i>tert</i>-Butylbenzylidene)-5-(4-fluorobenzylidene)-1-methylpiperidin-4-one
• Formula: C24 H26 F N O
• Calculated formula: C24 H26 F N O
• Title of publication: Novel asymmetric 3,5-bis(arylidene)piperidin-4-one derivatives: synthesis, crystal structures and cytotoxicity
• Authors of publication: Yao, Binrong; Li, Ning; Wang, Chunhua; Hou, Guige; Meng, Qingguo; Yan, Ke
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2018
• Journal volume: 74
• Journal issue: 6
• a: 13.4219 ± 0.0004 Å
• b: 8.3679 ± 0.0003 Å
• c: 18.5974 ± 0.0007 Å
• α: 90°
• β: 98.348 ± 0.003°
• γ: 90°
• Cell volume: 2066.6 ± 0.12 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• 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: 0.0716
• Residual factor for significantly intense reflections: 0.0564
• Weighted residual factors for significantly intense reflections: 0.1358
• Weighted residual factors for all reflections included in the refinement: 0.1531
• Goodness-of-fit parameter for all reflections included in the refinement: 1.099
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes