Information card for entry 2220999

Structure parameters

• Chemical name: 3,5-Dimethyl-2,6-diphenyl-3,4,5,6-tetrahydro-2<i>H</i>-pyran-4-one
• Formula: C19 H20 O2
• Calculated formula: C19 H20 O2
• SMILES: O=C1[C@@H]([C@H](O[C@H]([C@@H]1C)c1ccccc1)c1ccccc1)C
• Title of publication: 3,5-Dimethyl-2,6-diphenyl-3,4,5,6-tetrahydro-2<i>H</i>-pyran-4-one
• Authors of publication: Asghar, Muhammad Nadeem; Arshad, Muhammad Nadeem; Zia-ur-Rehman, Muhammad; Khan, Islam Ullah; Shafiq, Muhammad
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 3
• Pages of publication: o463
• a: 14.7247 ± 0.001 Å
• b: 9.2803 ± 0.0007 Å
• c: 23.0393 ± 0.0016 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3148.3 ± 0.4 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 3
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.1714
• Residual factor for significantly intense reflections: 0.0495
• Weighted residual factors for significantly intense reflections: 0.1097
• Weighted residual factors for all reflections included in the refinement: 0.1627
• Goodness-of-fit parameter for all reflections included in the refinement: 0.924
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes