Information card for entry 8106282

Structure parameters

• Formula: C20 H22 N2 O6
• Calculated formula: C20 H22 N2 O6
• Title of publication: Crystal structure of 6-hydroxy-5-((2-hydroxy-6-oxocyclohex-1-en-1-yl)(4-methoxyphenyl)methyl)-1,3-dimethylpyrimidine-2,4(1H,3H)-dione, C20H22N2O6
• Authors of publication: Altowyan, Mezna Saleh; Ali, M.; Soliman, Saied M.; Naser, Almoqbl A.; Al-Majid, Abdullah Mohammed; Barakat, Assem
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2018
• Journal volume: 233
• Journal issue: 4
• Pages of publication: 747 - 749
• a: 8.6657 ± 0.0006 Å
• b: 18.6201 ± 0.0014 Å
• c: 22.3583 ± 0.0018 Å
• α: 90°
• β: 91.808 ± 0.003°
• γ: 90°
• Cell volume: 3605.9 ± 0.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.1226
• Residual factor for significantly intense reflections: 0.0671
• Weighted residual factors for significantly intense reflections: 0.1494
• Weighted residual factors for all reflections included in the refinement: 0.1765
• Goodness-of-fit parameter for all reflections included in the refinement: 1.065
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No