Information card for entry 1557952

Structure parameters

• Formula: C14 H20 O8
• Calculated formula: C14 H20 O8
• SMILES: C(O)[C@@H](O)[C@H]1O[C@H](O[C@H]([C@H]1O)CO)c1ccc(c(c1)OC)O
• Title of publication: Sustainable sorbitol-derived compounds for gelation of the full range of ethanol-water mixtures.
• Authors of publication: Dizon, Glenieliz C.; Atkinson, George; Argent, Stephen P.; Santu, Lea T.; Amabilino, David B.
• Journal of publication: Soft matter
• Year of publication: 2020
• Journal volume: 16
• Journal issue: 19
• Pages of publication: 4640 - 4654
• a: 8.92283 ± 0.00014 Å
• b: 4.60123 ± 0.00007 Å
• c: 17.4539 ± 0.0003 Å
• α: 90°
• β: 92.9088 ± 0.0015°
• γ: 90°
• Cell volume: 715.66 ± 0.02 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 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: 0.0258
• Residual factor for significantly intense reflections: 0.0253
• Weighted residual factors for significantly intense reflections: 0.066
• Weighted residual factors for all reflections included in the refinement: 0.0665
• Goodness-of-fit parameter for all reflections included in the refinement: 1.064
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No