Information card for entry 2239813

Structure parameters

• Chemical name: (<i>E</i>)-3-Methyl-2,6-diphenylpiperidin-4-one <i>O</i>-(3-methylbenzoyl)oxime
• Formula: C26 H26 N2 O2
• Calculated formula: C26 H26 N2 O2
• SMILES: O(N=C1[C@@H]([C@H](N[C@@H](c2ccccc2)C1)c1ccccc1)C)C(=O)c1cc(ccc1)C.O(N=C1[C@H]([C@@H](N[C@H](c2ccccc2)C1)c1ccccc1)C)C(=O)c1cc(ccc1)C
• Title of publication: (<i>E</i>)-3-Methyl-2,6-diphenylpiperidin-4-one <i>O</i>-(3-methylbenzoyl)oxime
• Authors of publication: Kathiravan, V.; Krishnan, K. Gokula; Mohandas, T.; Thanikachalam, V.; Sakthivel, P.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2014
• Journal volume: 70
• Journal issue: 8
• Pages of publication: o883
• a: 10.6265 ± 0.0006 Å
• b: 12.7146 ± 0.0007 Å
• c: 16.4031 ± 0.0008 Å
• α: 90°
• β: 99.524 ± 0.002°
• γ: 90°
• Cell volume: 2185.7 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1081
• Residual factor for significantly intense reflections: 0.0526
• Weighted residual factors for significantly intense reflections: 0.1345
• Weighted residual factors for all reflections included in the refinement: 0.1748
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes