Information card for entry 2004766

Structure parameters

• Formula: C11 H10 O4
• Calculated formula: C11 H10 O4
• SMILES: O=C1OC[C@@H]2[C@H]1O[C@@H](O2)c1ccccc1
• Title of publication: Two Diastereomers of Benzylidene-<small>D</small>-erythronolactone
• Authors of publication: Flasche, M.; Raabe, G.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1996
• Journal volume: 52
• Journal issue: 4
• Pages of publication: 895 - 899
• a: 5.938 ± 0.001 Å
• b: 10.206 ± 0.002 Å
• c: 16.447 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 996.7 ± 0.4 ų
• Cell temperature: 293 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 significantly intense reflections: 0.036
• Weighted residual factors for significantly intense reflections: 0.036
• Goodness-of-fit parameter for significantly intense reflections: 5.15
• Diffraction radiation wavelength: 1.54179 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No