Information card for entry 2230411

Structure parameters

• Chemical name: (3<i>E</i>,5<i>E</i>)-3,5-Dibenzylidene-1-[3-(piperidin-1- yl)propanoyl]piperidin-4-one
• Formula: C27 H30 N2 O2
• Calculated formula: C27 H30 N2 O2
• SMILES: O=C(N1CC(=C\c2ccccc2)/C(=O)/C(=C/c2ccccc2)C1)CCN1CCCCC1
• Title of publication: (3<i>E</i>,5<i>E</i>)-3,5-Dibenzylidene-1-[3-(piperidin-1-yl)propanoyl]piperidin-4-one
• Authors of publication: Kia, Yalda; Osman, Hasnah; Murugaiyah, Vikneswaran; Hemamalini, Madhukar; Fun, Hoong-Kun
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 6
• Pages of publication: o1299 - o1300
• a: 9.7757 ± 0.0006 Å
• b: 10.9562 ± 0.0006 Å
• c: 20.94 ± 0.0015 Å
• α: 93.065 ± 0.001°
• β: 96.594 ± 0.001°
• γ: 90.115 ± 0.001°
• Cell volume: 2224.7 ± 0.2 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0703
• Residual factor for significantly intense reflections: 0.0464
• Weighted residual factors for significantly intense reflections: 0.1094
• Weighted residual factors for all reflections included in the refinement: 0.1224
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes