Information card for entry 2238664

Structure parameters

• Chemical name: [(4<i>E</i>)-3-Ethyl-1-methyl-2,6-diphenylpiperidin-4-ylidene]amino 3-methylbenzoate
• Formula: C28 H30 N2 O2
• Calculated formula: C28 H30 N2 O2
• SMILES: CC[C@H]1/C(=N/OC(=O)c2cccc(c2)C)C[C@@H](N([C@@H]1c1ccccc1)C)c1ccccc1.CC[C@@H]1/C(=N/OC(=O)c2cccc(c2)C)C[C@H](N([C@H]1c1ccccc1)C)c1ccccc1
• Title of publication: [(4<i>E</i>)-3-Ethyl-1-methyl-2,6-diphenylpiperidin-4-ylidene]amino 3-methylbenzoate
• Authors of publication: Vinuchakkaravarthy, T.; Sivakumar, R.; Srinivasan, T.; Thanikachalam, V.; Velmurugan, D.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2013
• Journal volume: 69
• Journal issue: 10
• Pages of publication: o1545
• a: 10.522 ± 0.0015 Å
• b: 11.8295 ± 0.0016 Å
• c: 11.987 ± 0.003 Å
• α: 112.871 ± 0.011°
• β: 97.939 ± 0.011°
• γ: 110.123 ± 0.008°
• Cell volume: 1225.4 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 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: 0.0655
• Residual factor for significantly intense reflections: 0.0457
• Weighted residual factors for significantly intense reflections: 0.1238
• Weighted residual factors for all reflections included in the refinement: 0.139
• 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: No