Information card for entry 2242220

Structure parameters

• Chemical name: 5-<i>O</i>-Benzoyl-2,3-<i>O</i>-isopropylidene-<i>D</i>-ribono-1,4-lactone
• Formula: C15 H16 O6
• Calculated formula: C15 H16 O6
• SMILES: O(C(=O)c1ccccc1)C[C@H]1OC(=O)[C@@H]2OC(O[C@H]12)(C)C
• Title of publication: Crystal structure of 5-<i>O</i>-benzoyl-2,3-<i>O</i>-isopropylidene-<small>D</small>-ribono-1,4-lactone
• Authors of publication: Bortoluzzi, Adailton J.; Silveira, Gustavo P.; Sá, Marcus M.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2017
• Journal volume: 73
• Journal issue: 3
• Pages of publication: 407 - 409
• a: 5.7574 ± 0.0001 Å
• b: 12.5703 ± 0.0003 Å
• c: 20.1888 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1461.11 ± 0.05 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 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: 0.0238
• Residual factor for significantly intense reflections: 0.0236
• Weighted residual factors for significantly intense reflections: 0.0676
• Weighted residual factors for all reflections included in the refinement: 0.0681
• Goodness-of-fit parameter for all reflections included in the refinement: 1.021
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes