Information card for entry 2015935

Structure parameters

• Chemical name: (R)-3,5-Bis[(E)-benzylidene]-1-(1-phenylethyl)piperidin-4-one
• Formula: C27 H25 N O
• Calculated formula: C27 H25 N O
• SMILES: C1/C(=C\c2ccccc2)C(=O)C(=C\c2ccccc2)\CN1[C@H](C)c1ccccc1
• Title of publication: (<i>R</i>)-3,5-Bis[(<i>E</i>)-benzylidene]-1-(1-phenylethyl)piperidin-4-one, 3,5-bis[(<i>E</i>)-4-chlorobenzylidene]-1-[(<i>R</i>)-1-phenylethyl]piperidin-4-one and 3,5-bis[(<i>E</i>)-2-chlorobenzylidene]-1-[(<i>R</i>)-1-phenylethyl]piperidin-4-one
• Authors of publication: J. Suresh; R. Suresh Kumar; S. Perumal; S. Natarajan
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 5
• Pages of publication: o315 - o318
• a: 6.089 ± 0.0007 Å
• b: 15.3562 ± 0.0009 Å
• c: 23.1522 ± 0.0011 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2164.8 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0792
• Residual factor for significantly intense reflections: 0.0319
• Weighted residual factors for significantly intense reflections: 0.0743
• Weighted residual factors for all reflections included in the refinement: 0.0934
• Goodness-of-fit parameter for all reflections included in the refinement: 1.058
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes