Information card for entry 2235879

Structure parameters

• Chemical name: (3<i>E</i>,5<i>E</i>)-3,5-Bis(4-methylbenzylidene)-1-[3-(piperidin-1- yl)propanoyl]piperidin-4-one
• Formula: C29 H34 N2 O2
• Calculated formula: C29 H34 N2 O2
• SMILES: O=C1/C(=C/c2ccc(cc2)C)CN(CC\1=C/c1ccc(cc1)C)C(=O)CCN1CCCCC1
• Title of publication: (3<i>E</i>,5<i>E</i>)-3,5-Bis(4-methylbenzylidene)-1-[3-(piperidin-1-yl)propanoyl]piperidin-4-one
• Authors of publication: Kia, Yalda; Osman, Hasnah; Murugaiyah, Vikneswaran; Arshad, Suhana; Razak, Ibrahim Abdul
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 8
• Pages of publication: o2493 - o2494
• a: 12.2913 ± 0.0008 Å
• b: 9.9753 ± 0.0008 Å
• c: 19.9993 ± 0.0014 Å
• α: 90°
• β: 100.884 ± 0.004°
• γ: 90°
• Cell volume: 2408 ± 0.3 ų
• Cell temperature: 100 ± 1 K
• Ambient diffraction temperature: 100 ± 1 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: 0.1671
• Residual factor for significantly intense reflections: 0.0781
• Weighted residual factors for significantly intense reflections: 0.1856
• Weighted residual factors for all reflections included in the refinement: 0.2275
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes