Information card for entry 7121978

Structure parameters

• Formula: C21 H7 F39 O5
• Calculated formula: C21 H7 F39 O5
• Title of publication: The perfluorinated alcohols c-C₆F₁₁OH, c-C₆F₁₀-1,1-(OH)₂ and c-C₆F₁₀-1-(CF₃)OH.
• Authors of publication: Schaab, Jonas; Schwab, Miriam; Kratzert, Daniel; Schwabedissen, Jan; Stammler, Hans-Georg; Mitzel, Norbert W.; Krossing, Ingo
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2018
• Journal volume: 54
• Journal issue: 67
• Pages of publication: 9294 - 9297
• a: 7.039 ± 0.0004 Å
• b: 22.2491 ± 0.0013 Å
• c: 21.3552 ± 0.0012 Å
• α: 90°
• β: 93.561 ± 0.005°
• γ: 90°
• Cell volume: 3338 ± 0.3 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 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: 0.0604
• Residual factor for significantly intense reflections: 0.0408
• Weighted residual factors for significantly intense reflections: 0.0825
• Weighted residual factors for all reflections included in the refinement: 0.0919
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No