Information card for entry 2224118

Structure parameters

• Chemical name: (3<i>E</i>,5<i>E</i>)-3,5-Bis(4-allyloxybenzylidene)-1-benzylpiperidin-4-one
• Formula: C32 H31 N O3
• Calculated formula: C32 H31 N O3
• SMILES: C=CCOc1ccc(cc1)/C=C1\CN(Cc2ccccc2)C/C(=C\c2ccc(cc2)OCC=C)C1=O
• Title of publication: (3<i>E</i>,5<i>E</i>)-3,5-Bis(4-allyloxybenzylidene)-1-benzylpiperidin-4-one
• Authors of publication: Karthikeyan, N. S.; Sathiyanarayanan, K.; Aravindan, P. G.; Ghosh, H.; Rathore, R. S.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 12
• Pages of publication: o3062
• a: 15.6161 ± 0.0004 Å
• b: 9.2654 ± 0.0002 Å
• c: 18.9696 ± 0.0005 Å
• α: 90°
• β: 111.031 ± 0.001°
• γ: 90°
• Cell volume: 2561.87 ± 0.11 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 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: 0.0575
• Residual factor for significantly intense reflections: 0.0414
• Weighted residual factors for significantly intense reflections: 0.1007
• Weighted residual factors for all reflections included in the refinement: 0.1138
• Goodness-of-fit parameter for all reflections included in the refinement: 1.012
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes