Information card for entry 2231848

Structure parameters

• Chemical name: (3<i>E</i>,5<i>E</i>)-3,5-Dibenzylidene-1-phenethylpiperidin-4-one
• Formula: C27 H25 N O
• Calculated formula: C27 H25 N O
• SMILES: O=C1/C(=C/c2ccccc2)CN(C/C1=C\c1ccccc1)CCc1ccccc1
• Title of publication: (3<i>E</i>,5<i>E</i>)-3,5-Dibenzylidene-1-phenethylpiperidin-4-one
• Authors of publication: Ali, Mohamed Ashraf; Choon, Tan Soo; Almansour, Abdulrahman I.; Shahani, Tara; Fun, Hoong-Kun
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 10
• Pages of publication: o2605
• a: 11.4785 ± 0.0002 Å
• b: 5.8396 ± 0.0001 Å
• c: 30.9591 ± 0.0005 Å
• α: 90°
• β: 106.412 ± 0.001°
• γ: 90°
• Cell volume: 1990.63 ± 0.06 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.0958
• Residual factor for significantly intense reflections: 0.0704
• Weighted residual factors for significantly intense reflections: 0.1609
• Weighted residual factors for all reflections included in the refinement: 0.1726
• Goodness-of-fit parameter for all reflections included in the refinement: 1.082
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes