Information card for entry 2222613

Structure parameters

• Chemical name: t-3-Ethyl-r-2,c-6-bis(4-methoxyphenyl)-1-nitrosopiperidin-4-one
• Formula: C21 H24 N2 O4
• Calculated formula: C21 H24 N2 O4
• SMILES: O=C1[C@@H]([C@H](N([C@H](C1)c1ccc(OC)cc1)N=O)c1ccc(OC)cc1)CC
• Title of publication: <i>t</i>-3-Ethyl-<i>r</i>-2,<i>c</i>-6-bis(4-methoxyphenyl)-1-nitrosopiperidin-4-one
• Authors of publication: Kavitha, T.; Thenmozhi, M.; Ponnuswamy, S.; Sakthivel, P.; Ponnuswamy, M. N.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 8
• Pages of publication: o1765
• a: 7.2742 ± 0.0004 Å
• b: 15.8459 ± 0.0007 Å
• c: 16.48 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1899.59 ± 0.16 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: 0.0588
• Residual factor for significantly intense reflections: 0.0398
• Weighted residual factors for significantly intense reflections: 0.0964
• Weighted residual factors for all reflections included in the refinement: 0.1071
• Goodness-of-fit parameter for all reflections included in the refinement: 1.017
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes