Information card for entry 4027706

Structure parameters

• Formula: C11 H10 F10 O5
• Calculated formula: C11 H10 F10 O5
• SMILES: FC(F)(F)C(F)(F)[C@]12OC(O[C@@H]2[C@H](O)[C@@](O1)(O)C(F)(F)C(F)(F)F)(C)C.FC(F)(F)C(F)(F)[C@@]12OC(O[C@H]2[C@@H](O)[C@](O1)(O)C(F)(F)C(F)(F)F)(C)C
• Title of publication: TEFDDOLs (α,α,α',α'-Tetrakis(perfluoroaryl/alkyl)-2,2'-dimethyl -1,3-dioxolane-4,5-dimethanols): Highly Fluorinated Chiral H-Bond Donors and Brønsted Acids with Distinct H-Bonding Patterns and Supramolecular Architectures
• Authors of publication: Albrecht Berkessel; Sonja S. Vormittag; Nils E. Schlörer; Jörg-M. Neudörfl
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2012
• Journal volume: 77
• Pages of publication: 10145 - 10157
• a: 5.4658 ± 0.0002 Å
• b: 17.842 ± 0.0012 Å
• c: 15.3081 ± 0.0009 Å
• α: 90°
• β: 104.041 ± 0.003°
• γ: 90°
• Cell volume: 1448.26 ± 0.14 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• 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: 0.0706
• Residual factor for significantly intense reflections: 0.036
• Weighted residual factors for significantly intense reflections: 0.0538
• Weighted residual factors for all reflections included in the refinement: 0.0587
• Goodness-of-fit parameter for all reflections included in the refinement: 1.213
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No