Information card for entry 2243411

Structure parameters

• Chemical name: 6-(Octyloxy)hexahydrofuro[3,2-<i>b</i>]furan-3-ol
• Formula: C14 H26 O4
• Calculated formula: C14 H26 O4
• SMILES: O[C@@H]1CO[C@H]2[C@@H]1OC[C@@H]2OCCCCCCCC
• 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: 7.0008 ± 0.0013 Å
• b: 5.5112 ± 0.001 Å
• c: 18.544 ± 0.003 Å
• α: 90°
• β: 100.155 ± 0.004°
• γ: 90°
• Cell volume: 704.3 ± 0.2 ų
• Cell temperature: 100 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: 0.0493
• Residual factor for significantly intense reflections: 0.0422
• Weighted residual factors for significantly intense reflections: 0.1062
• Weighted residual factors for all reflections included in the refinement: 0.1099
• Goodness-of-fit parameter for all reflections included in the refinement: 1.101
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes