Information card for entry 1502803

Structure parameters

• Common name: Compound 1
• Chemical name: 1,4-dihydroxy-3-((2R,3R,5S,6R)-6-((R)-1-methylypropyl)-3,5-dimethyltetrahydro- 2H-pyran-2-yl)-5-phenylpyridin-2(1H)-one
• Formula: C22 H29 N O4
• Calculated formula: C22 H29 N O4
• SMILES: On1c(=O)c(c(O)c(c1)c1ccccc1)[C@@H]1O[C@@H]([C@H](C[C@H]1C)C)[C@H](C)CC
• Title of publication: Bioactive 1,4-dihydroxy-5-phenyl-2-pyridinone alkaloids from Septoria pistaciarum.
• Authors of publication: Kumarihamy, Mallika; Fronczek, Frank R.; Ferreira, Daneel; Jacob, Melissa; Khan, Shabana I.; Nanayakkara, N. P. Dhammika
• Journal of publication: Journal of natural products
• Year of publication: 2010
• Journal volume: 73
• Journal issue: 7
• Pages of publication: 1250 - 1253
• a: 11.1427 ± 0.0009 Å
• b: 13.0004 ± 0.001 Å
• c: 28.073 ± 0.002 Å
• α: 90°
• β: 90.43 ± 0.005°
• γ: 90°
• Cell volume: 4066.5 ± 0.5 ų
• Cell temperature: 90 ± 0.5 K
• Ambient diffraction temperature: 90 ± 0.5 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.039
• Residual factor for significantly intense reflections: 0.038
• Weighted residual factors for significantly intense reflections: 0.102
• Weighted residual factors for all reflections included in the refinement: 0.104
• Goodness-of-fit parameter for all reflections included in the refinement: 1.024
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No