Information card for entry 7221978

Structure parameters

• Chemical name: 5-hydroxy-1,3-dioxan-2-one
• Formula: C4 H6 O4
• Calculated formula: C4 H6 O4
• SMILES: C1(=O)OCC(CO1)O
• Title of publication: Synthesis, characterization and reactivity of a six-membered cyclic glycerol carbonate bearing a free hydroxyl group
• Authors of publication: Tryznowski, M.; Żołek-Tryznowska, Z.; Świderska, A.; Parzuchowski, P. G.
• Journal of publication: Green Chem.
• Year of publication: 2016
• Journal volume: 18
• Journal issue: 3
• Pages of publication: 802
• a: 10.6016 ± 0.0004 Å
• b: 9.5305 ± 0.0004 Å
• c: 10.7702 ± 0.0005 Å
• α: 90°
• β: 119.312 ± 0.004°
• γ: 90°
• Cell volume: 948.88 ± 0.08 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 ± 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: 0.0294
• Residual factor for significantly intense reflections: 0.027
• Weighted residual factors for significantly intense reflections: 0.0747
• Weighted residual factors for all reflections included in the refinement: 0.0756
• Goodness-of-fit parameter for all reflections included in the refinement: 1.07
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No