Information card for entry 2224449

Structure parameters

• Common name: 2-<i>C</i>-Phenylerythrono-1,4-lactone
• Chemical name: 3,4-dihydroxy-3-phenylfuran-2-one
• Formula: C10 H10 O4
• Calculated formula: C10 H10 O4
• SMILES: O1C(=O)[C@](O)([C@H](O)C1)c1ccccc1.O1C(=O)[C@@](O)([C@@H](O)C1)c1ccccc1
• Title of publication: 2-<i>C</i>-Phenylerythrono-1,4-lactone
• Authors of publication: Robinson, Tony V.; Taylor, Dennis K.; Tiekink, Edward R. T.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 12
• Pages of publication: o3130
• a: 6.485 ± 0.002 Å
• b: 7.324 ± 0.003 Å
• c: 18.962 ± 0.007 Å
• α: 90°
• β: 99.378 ± 0.007°
• γ: 90°
• Cell volume: 888.6 ± 0.6 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 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: 0.043
• Residual factor for significantly intense reflections: 0.04
• Weighted residual factors for significantly intense reflections: 0.116
• Weighted residual factors for all reflections included in the refinement: 0.128
• Goodness-of-fit parameter for all reflections included in the refinement: 1.21
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes