Information card for entry 7248443

Structure parameters

• Chemical name: trans-Perfluorodecalin
• 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: 5.8708 ± 0.0007 Å
• b: 7.2213 ± 0.0007 Å
• c: 9.3736 ± 0.0012 Å
• α: 111.871 ± 0.003°
• β: 90.014 ± 0.004°
• γ: 111.475 ± 0.003°
• Cell volume: 338.87 ± 0.07 ų
• Cell temperature: 290 ± 2 K
• Ambient diffraction temperature: 290 ± 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: 0.0543
• Residual factor for significantly intense reflections: 0.05
• Weighted residual factors for significantly intense reflections: 0.1375
• Weighted residual factors for all reflections included in the refinement: 0.1465
• Goodness-of-fit parameter for all reflections included in the refinement: 1.147
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No