Information card for entry 2101875

Structure parameters

• Chemical name: 2-hydroxy-2-phenyl-3,3,5,5-tetramethyl-6-piperidone
• Formula: C15 H21 N O2
• Calculated formula: C15 H21 N O2
• SMILES: OC1(NC(=O)C(CC1(C)C)(C)C)c1ccccc1
• Title of publication: Conformation-Related Reaction Efficiency of Glutarimides with Phenyllithium. Structures of 3,3,5,5-Tetramethylglutarimide and 2-Hydroxy-2-phenyl-3,3,5,5-tetramethyl-6-piperidone. X-ray and Theoretical Study
• Authors of publication: Maurin, Jan K.; Czarnocki, Zbigniew; Paluchowska, Beata; Winnicka-Maurin, Małgorzata
• Journal of publication: Acta Crystallographica Section B
• Year of publication: 1997
• Journal volume: 53
• Journal issue: 4
• Pages of publication: 719 - 725
• a: 6.1685 ± 0.0006 Å
• b: 11.1475 ± 0.001 Å
• c: 11.526 ± 0.002 Å
• α: 117.1 ± 0.01°
• β: 103.39 ± 0.01°
• γ: 91.288 ± 0.007°
• Cell volume: 678.84 ± 0.17 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0547
• Residual factor for significantly intense reflections: 0.041
• Weighted residual factors for all reflections: 0.125
• Weighted residual factors for significantly intense reflections: 0.1154
• Goodness-of-fit parameter for all reflections: 1.005
• Goodness-of-fit parameter for significantly intense reflections: 1.057
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No