Information card for entry 2220624

Structure parameters

• Chemical name: 3-Phenyltetrahydrofuran-2,5-dione
• Formula: C10 H8 O3
• Calculated formula: C10 H8 O3
• SMILES: O1C(=O)[C@@H](CC1=O)c1ccccc1
• Title of publication: 3-Phenyltetrahydrofuran-2,5-dione
• Authors of publication: Quan, Li; Yin, Handong
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 1
• Pages of publication: o167
• a: 5.6172 ± 0.0009 Å
• b: 10.146 ± 0.0012 Å
• c: 14.9899 ± 0.0019 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 854.3 ± 0.2 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 3
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.074
• Residual factor for significantly intense reflections: 0.0349
• Weighted residual factors for significantly intense reflections: 0.0574
• Weighted residual factors for all reflections included in the refinement: 0.0688
• Goodness-of-fit parameter for all reflections included in the refinement: 1.142
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes