Information card for entry 7248446

Structure parameters

• Chemical name: trans-Perfluorodecalin (disordered, crystallized from cis-trans mixture)
• Formula: C10 F18
• Calculated formula: C10 F18
• Title of publication: Structural chemistry of decalins and perfluorodecalins
• Authors of publication: Paska, Bartłomiej; Cichowicz, Grzegorz; Rzepiński, Patryk; Cyrański, Michał Ksawery; Dobrzycki, Łukasz; Boese, Roland
• Journal of publication: CrystEngComm
• Year of publication: 2024
• a: 5.94 ± 0.002 Å
• b: 7.257 ± 0.002 Å
• c: 9.19 ± 0.002 Å
• α: 111.733 ± 0.01°
• β: 89.911 ± 0.01°
• γ: 113.546 ± 0.009°
• Cell volume: 332.33 ± 0.17 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 2
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0977
• Residual factor for significantly intense reflections: 0.0872
• Weighted residual factors for significantly intense reflections: 0.2249
• Weighted residual factors for all reflections included in the refinement: 0.2401
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No