Information card for entry 2221971

Structure parameters

• Chemical name: r-2,c-6-Bis(4-methoxyphenyl)-c-3,t-3-dimethyl-1-nitrosopiperidin-4-one
• Formula: C21 H24 N2 O4
• Calculated formula: C21 H24 N2 O4
• SMILES: N1([C@H](C(C(=O)C[C@H]1c1ccc(cc1)OC)(C)C)c1ccc(cc1)OC)N=O
• Title of publication: <i>r</i>-2,<i>c</i>-6-Bis(4-methoxyphenyl)-<i>c</i>-3,<i>t</i>-3-dimethyl-1-nitrosopiperidin-4-one
• Authors of publication: Kavitha, T.; Ponnuswamy, S.; Sakthivel, P.; Karthik, K.; Ponnuswamy, M. N.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 6
• Pages of publication: o1420
• a: 7.254 ± 0.0003 Å
• b: 15.0469 ± 0.0006 Å
• c: 17.0741 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1863.64 ± 0.13 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: 0.0527
• Residual factor for significantly intense reflections: 0.0386
• Weighted residual factors for significantly intense reflections: 0.0974
• Weighted residual factors for all reflections included in the refinement: 0.1088
• Goodness-of-fit parameter for all reflections included in the refinement: 1.025
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes