Information card for entry 1559848

Structure parameters

• Formula: C8 H14 O5
• Calculated formula: C8 H14 O5
• SMILES: O1[C@@H]2[C@@H](O[C@H](CO)[C@@H]2O)OC1(C)C
• Title of publication: 1,2-<i>O</i>-Isopropylidene-β-<small>D</small>-<i>lyxo</i>-furanose
• Authors of publication: Doboszewski, Bogdan; Nazarenko, Alexander Y.
• Journal of publication: IUCrData
• Year of publication: 2020
• Journal volume: 5
• Journal issue: 12
• Pages of publication: x201630
• a: 5.9216 ± 0.0003 Å
• b: 7.3539 ± 0.0004 Å
• c: 21.1087 ± 0.0012 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 919.22 ± 0.09 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 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: 0.0775
• Residual factor for significantly intense reflections: 0.0303
• Weighted residual factors for significantly intense reflections: 0.0757
• Weighted residual factors for all reflections included in the refinement: 0.0895
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No