Information card for entry 2223984

Structure parameters

• Chemical name: (3<i>E</i>,5<i>E</i>)-1-Benzyl-3,5-bis(2-fluorobenzylidene)piperidin-4-one
• Formula: C26 H21 F2 N O
• Calculated formula: C26 H21 F2 N O
• SMILES: N1(CC(=C\c2c(F)cccc2)/C(=O)C(=C\c2c(F)cccc2)\C1)Cc1ccccc1
• Title of publication: (3<i>E</i>,5<i>E</i>)-1-Benzyl-3,5-bis(2-fluorobenzylidene)piperidin-4-one
• Authors of publication: Rathore, R. S.; Karthikeyan, N. S.; Sathiyanarayanan, K.; Aravindan, P. G.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 11
• Pages of publication: o2667
• a: 6.7738 ± 0.0004 Å
• b: 12.5652 ± 0.0007 Å
• c: 12.8535 ± 0.0007 Å
• α: 71.051 ± 0.001°
• β: 88.057 ± 0.002°
• γ: 89.117 ± 0.002°
• Cell volume: 1034.12 ± 0.1 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0942
• Residual factor for significantly intense reflections: 0.0475
• Weighted residual factors for significantly intense reflections: 0.1165
• Weighted residual factors for all reflections included in the refinement: 0.1352
• Goodness-of-fit parameter for all reflections included in the refinement: 1.12
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes