Information card for entry 2208475

Structure parameters

• Chemical name: 4-Oxo-2,3,5,6-tetraphenylpiperidine-1-carbonitrile ethyl acetate hemisolvate
• Formula: C32 H28 N2 O2
• Calculated formula: C32 H28 N2 O2
• Title of publication: 4-Oxo-2,3,5,6-tetraphenylpiperidine-1-carbonitrile ethyl acetate hemisolvate
• Authors of publication: J. Suresh; V. P. Alex Raja; S. Natarajan; S. Perumal; A. Mostad; R. V. Krishnakumar
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 4
• Pages of publication: o1295 - o1297
• a: 9.3887 ± 0.0003 Å
• b: 10.6241 ± 0.0004 Å
• c: 26.7247 ± 0.001 Å
• α: 90°
• β: 92.232 ± 0.002°
• γ: 90°
• Cell volume: 2663.67 ± 0.17 ų
• Cell temperature: 105 ± 2 K
• Ambient diffraction temperature: 105 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.075
• Residual factor for significantly intense reflections: 0.0665
• Weighted residual factors for significantly intense reflections: 0.1812
• Weighted residual factors for all reflections included in the refinement: 0.1882
• Goodness-of-fit parameter for all reflections included in the refinement: 1.118
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes