Information card for entry 1557847

Structure parameters

• Chemical name: 2,6-Diphenyl-3-(prop-2-en-1-yl)piperidin-4-one
• Formula: C20 H21 N O
• Calculated formula: C20 H21 N O
• SMILES: O=C1C[C@H](N[C@H]([C@@H]1CC=C)c1ccccc1)c1ccccc1.O=C1C[C@@H](N[C@@H]([C@H]1CC=C)c1ccccc1)c1ccccc1
• Title of publication: 2,6-Diphenyl-3-(prop-2-en-1-yl)piperidin-4-one
• Authors of publication: Manjula, V.; Venkateswaramoorthi, R.; Dharmaraja, J.; Selvanayagam, S.
• Journal of publication: IUCrData
• Year of publication: 2020
• Journal volume: 5
• Journal issue: 4
• Pages of publication: x200526
• a: 16.7588 ± 0.0004 Å
• b: 23.4597 ± 0.0005 Å
• c: 8.7769 ± 0.0002 Å
• α: 90°
• β: 98.771 ± 0.001°
• γ: 90°
• Cell volume: 3410.34 ± 0.13 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1723
• Residual factor for significantly intense reflections: 0.0797
• Weighted residual factors for significantly intense reflections: 0.1648
• Weighted residual factors for all reflections included in the refinement: 0.2005
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes