Information card for entry 7250054

Structure parameters

• Chemical name: 5,10-trans-dimethyl-trans-tetradecahydrophosphanthrene 5,10-dioxide
• Formula: C14 H26 O2 P2
• Calculated formula: C14 H26 O2 P2
• Title of publication: Rationalization of thermal properties of some polycyclic organophosphorus compounds by structural and QSPR analyses
• Authors of publication: Łastawiecka, Elżbieta; Matysiak, Joanna; Stankevič, Marek; Kozioł, Anna; Dyk, Konrad; Kamiński, Daniel Michael
• Journal of publication: Physical Chemistry Chemical Physics
• Year of publication: 2025
• a: 5.648 ± 0.001 Å
• b: 7.599 ± 0.002 Å
• c: 9.119 ± 0.002 Å
• α: 83.62 ± 0.02°
• β: 86.36 ± 0.02°
• γ: 72.9 ± 0.02°
• Cell volume: 371.57 ± 0.15 ų
• Cell temperature: 290.2 ± 0.7 K
• Ambient diffraction temperature: 290.2 ± 0.7 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.076
• Residual factor for significantly intense reflections: 0.0604
• Weighted residual factors for significantly intense reflections: 0.1538
• Weighted residual factors for all reflections included in the refinement: 0.2053
• Goodness-of-fit parameter for all reflections included in the refinement: 1.119
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No