Information card for entry 2201881

Structure parameters

• Chemical name: 5,5'-dimethyl-2-(4-methylphenylaminocarbomethyl)-1,3-cyclohexanedione
• Formula: C17 H21 N O3
• Calculated formula: C17 H21 N O3
• Title of publication: 2-Hydroxy-4,4-dimethyl-<i>N</i>-(4-methylphenyl-6-oxocyclohexanylacetamide
• Authors of publication: S. Selvanayagam; M. Yogavel; V. Rajakannan; D. Velmurugan; S. Shanmuga Sundara Raj; Hoong-Kun Fun
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2003
• Journal volume: 59
• Journal issue: 3
• Pages of publication: o261 - o262
• a: 10.1239 ± 0.0001 Å
• b: 5.8366 ± 0.0001 Å
• c: 26.9176 ± 0.0001 Å
• α: 90°
• β: 97.403 ± 0.001°
• γ: 90°
• Cell volume: 1577.28 ± 0.03 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: 0.0644
• Residual factor for significantly intense reflections: 0.0448
• Weighted residual factors for significantly intense reflections: 0.1159
• Weighted residual factors for all reflections included in the refinement: 0.1274
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes