Information card for entry 2220706

Structure parameters

• Chemical name: <i>trans</i>-5,6-Diphenylperhydropyran-2,4-dione
• Formula: C17 H14 O3
• Calculated formula: C17 H14 O3
• SMILES: C1(=O)CC(=O)[C@@H]([C@@H](c2ccccc2)O1)c1ccccc1.C1(=O)CC(=O)[C@H]([C@H](c2ccccc2)O1)c1ccccc1
• Title of publication: <i>trans</i>-5,6-Diphenylperhydropyran-2,4-dione
• Authors of publication: Souza, Laura C. de; Imbroisi, Dennis de O.; De Simone, Carlos A.; Pereira, Mariano A.; Malta, Valéria R. S.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 2
• Pages of publication: o250
• a: 8.994 ± 0.0002 Å
• b: 8.231 ± 0.0004 Å
• c: 18.904 ± 0.0008 Å
• α: 90°
• β: 101.412 ± 0.002°
• γ: 90°
• Cell volume: 1371.79 ± 0.09 ų
• Cell temperature: 295 K
• Number of distinct elements: 3
• 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: 0.0648
• Residual factor for significantly intense reflections: 0.0501
• Weighted residual factors for significantly intense reflections: 0.1183
• Weighted residual factors for all reflections included in the refinement: 0.1307
• Goodness-of-fit parameter for all reflections included in the refinement: 1.053
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes