Information card for entry 2243412

Structure parameters

• Chemical name: 6-(Decyloxy)hexahydrofuro[3,2-<i>b</i>]furan-3-ol
• Formula: C16 H30 O4
• Calculated formula: C16 H30 O4
• SMILES: O[C@@H]1CO[C@H]2[C@@H]1OC[C@@H]2OCCCCCCCCCC
• Title of publication: 2-<i>O</i>-Monoalkyl isosorbide ethers with C8, C10, C12 and C14 chain lengths
• Authors of publication: Geburtig, Felix; Vill, Volkmar
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2020
• Journal volume: 76
• Journal issue: 6
• Pages of publication: 924 - 928
• a: 6.9892 ± 0.0002 Å
• b: 5.4888 ± 0.0002 Å
• c: 20.8041 ± 0.0006 Å
• α: 90°
• β: 91.302 ± 0.003°
• γ: 90°
• Cell volume: 797.89 ± 0.04 ų
• Cell temperature: 99.99 ± 0.1 K
• Ambient diffraction temperature: 100.15 K
• Number of distinct elements: 3
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0464
• Residual factor for significantly intense reflections: 0.0422
• Weighted residual factors for significantly intense reflections: 0.115
• Weighted residual factors for all reflections included in the refinement: 0.1183
• Goodness-of-fit parameter for all reflections included in the refinement: 1.072
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes