Information card for entry 2200974

Structure parameters

• Formula: C19 H16 O5
• Calculated formula: C19 H16 O5
• SMILES: O=C1O[C@@H](c2ccccc2)[C@H]([C@@H]1C(=O)O)CC(=O)c1ccccc1.O=C1O[C@H](c2ccccc2)[C@@H]([C@H]1C(=O)O)CC(=O)c1ccccc1
• Title of publication: (±)-2-Oxo-4-(2-oxo-2-phenylethyl)-5-phenyltetrahydrofuran-3-carboxylic acid
• Authors of publication: Greatrex, Ben W.; Kimber, Marc C.; Taylor, Dennis K.; Fallon, Gary D.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2002
• Journal volume: 58
• Journal issue: 3
• Pages of publication: o298 - o299
• a: 30.0282 ± 0.0004 Å
• b: 8.9226 ± 0.0001 Å
• c: 12.1979 ± 0.0002 Å
• α: 90°
• β: 104.884 ± 0.001°
• γ: 90°
• Cell volume: 3158.52 ± 0.08 ų
• Cell temperature: 123 ± 2 K
• Number of distinct elements: 3
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for significantly intense reflections: 0.045
• Weighted residual factors for all reflections included in the refinement: 0.096
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes