Information card for entry 7121979

Structure parameters

• Formula: C11 H12 F13 N O
• Calculated formula: C11 H12 F13 N O
• 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: 14.4972 ± 0.0006 Å
• b: 14.78 ± 0.0005 Å
• c: 28.496 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 6105.8 ± 0.5 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 5
• Space group number: 52
• Hermann-Mauguin space group symbol: P n n a
• Hall space group symbol: -P 2a 2bc
• Residual factor for all reflections: 0.0847
• Residual factor for significantly intense reflections: 0.0459
• Weighted residual factors for significantly intense reflections: 0.1041
• Weighted residual factors for all reflections included in the refinement: 0.1191
• 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