Information card for entry 2238269

Structure parameters

• Chemical name: (3<i>E</i>,5<i>E</i>)-1-Allyl-3,5-bis(4-methoxybenzylidene)piperidin-4-one
• Formula: C24 H25 N O3
• Calculated formula: C24 H25 N O3
• SMILES: COc1ccc(cc1)/C=C1\CN(CC=C)C/C(=C\c2ccc(cc2)OC)C1=O
• Title of publication: (3<i>E</i>,5<i>E</i>)-1-Allyl-3,5-bis(4-methoxybenzylidene)piperidin-4-one
• Authors of publication: Almansour, Abdulrahman I.; Kumar, Raju Suresh; Arumugam, Natarajan; Vishnupriya, R.; Suresh, J.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2013
• Journal volume: 69
• Journal issue: 7
• Pages of publication: o1071
• a: 19.2409 ± 0.0015 Å
• b: 6.8457 ± 0.0006 Å
• c: 15.6393 ± 0.0013 Å
• α: 90°
• β: 98.255 ± 0.002°
• γ: 90°
• Cell volume: 2038.6 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• 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: 0.0869
• Residual factor for significantly intense reflections: 0.0496
• Weighted residual factors for significantly intense reflections: 0.1415
• Weighted residual factors for all reflections included in the refinement: 0.1691
• 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: Yes