Information card for entry 2226986

Structure parameters

• Chemical name: (<i>E</i>)-3-(4-Methoxyphenyl)-1-[4-(piperidin-1-yl)phenyl]prop-2-en-1-one
• Formula: C21 H23 N O2
• Calculated formula: C21 H23 N O2
• SMILES: O(c1ccc(/C=C/C(=O)c2ccc(N3CCCCC3)cc2)cc1)C
• Title of publication: (<i>E</i>)-3-(4-Methoxyphenyl)-1-[4-(piperidin-1-yl)phenyl]prop-2-en-1-one
• Authors of publication: Jasinski, Jerry P.; Guild, Curtis J.; Narayana, B.; Nayak, Prakash S.; Yathirajan, H. S.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 8
• Pages of publication: o1996
• a: 6.0963 ± 0.0011 Å
• b: 10.985 ± 0.002 Å
• c: 13.133 ± 0.003 Å
• α: 74.188 ± 0.003°
• β: 88.674 ± 0.003°
• γ: 77.393 ± 0.003°
• Cell volume: 825.2 ± 0.3 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 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: 0.0741
• Residual factor for significantly intense reflections: 0.0518
• Weighted residual factors for significantly intense reflections: 0.1292
• Weighted residual factors for all reflections included in the refinement: 0.1507
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes