Information card for entry 2018196

Structure parameters

• Chemical name: 5-hydroxy-6-methyl-2-pyridone acetone 0.167-solvate
• Formula: C6.5 H8 N O2.1667
• Calculated formula: C6.51 H8.02 N O2.17
• Title of publication: Channel-forming solvate crystals and isostructural solvent-free powder of 5-hydroxy-6-methyl-2-pyridone
• Authors of publication: Parkin, Sean R.; Behrman, Edward J.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 8
• Pages of publication: o324 - o328
• a: 24.7962 ± 0.0003 Å
• b: 24.7962 ± 0.0003 Å
• c: 5.2924 ± 0.0001 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 2818.08 ± 0.07 ų
• Cell temperature: 90 ± 0.2 K
• Ambient diffraction temperature: 90 ± 0.2 K
• Number of distinct elements: 4
• Space group number: 148
• Hermann-Mauguin space group symbol: R -3 :H
• Hall space group symbol: -R 3
• Residual factor for all reflections: 0.0666
• Residual factor for significantly intense reflections: 0.0441
• Weighted residual factors for significantly intense reflections: 0.1118
• Weighted residual factors for all reflections included in the refinement: 0.13
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes