Information card for entry 2229562

Structure parameters

• Chemical name: Ethyl 4-[2-(3,5-dimethyl-4-oxo-2,6-diphenylpiperidin-1- yl)-2-oxoethyl]piperazine-1-carboxylate
• Formula: C28 H35 N3 O4
• Calculated formula: C28 H35 N3 O4
• SMILES: O=C(N1[C@@H](c2ccccc2)[C@@H](C(=O)[C@@H]([C@H]1c1ccccc1)C)C)CN1CCN(CC1)C(=O)OCC
• Title of publication: Ethyl 4-[2-(3,5-dimethyl-4-oxo-2,6-diphenylpiperidin-1-yl)-2-oxoethyl]piperazine-1-carboxylate
• Authors of publication: Rani, Mannangatty; Ramachandran, Rajamanickam; Kabilan, Senthamaraikannan; Jeong, Yeon Tae
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 3
• Pages of publication: o541
• a: 10.9073 ± 0.0003 Å
• b: 19.194 ± 0.0006 Å
• c: 12.2246 ± 0.0003 Å
• α: 90°
• β: 91.809 ± 0.002°
• γ: 90°
• Cell volume: 2558 ± 0.12 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: 0.0763
• Residual factor for significantly intense reflections: 0.0466
• Weighted residual factors for significantly intense reflections: 0.1211
• Weighted residual factors for all reflections included in the refinement: 0.1415
• Goodness-of-fit parameter for all reflections included in the refinement: 1.008
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes