Information card for entry 7248460

Structure parameters

• Chemical name: trans-Decalin
• Formula: C10 H18
• Calculated formula: C10 H18
• 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: 5.3191 ± 0.0002 Å
• b: 10.564 ± 0.0004 Å
• c: 7.858 ± 0.0002 Å
• α: 90°
• β: 90.7843 ± 0.0014°
• γ: 90°
• Cell volume: 441.51 ± 0.03 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 2
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0413
• Residual factor for significantly intense reflections: 0.039
• Weighted residual factors for significantly intense reflections: 0.094
• Weighted residual factors for all reflections included in the refinement: 0.0963
• Goodness-of-fit parameter for all reflections included in the refinement: 1.146
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No