Information card for entry 7250055

Structure parameters

• Chemical name: 5,10-trans-dicyclopentyl-trans-tradecahydrophosphanthrene 5,10-dioxide
• Formula: C22 H38 O2 P2
• Calculated formula: C22 H38 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: 5.615 ± 0.001 Å
• b: 9.764 ± 0.003 Å
• c: 10.341 ± 0.003 Å
• α: 92.98 ± 0.03°
• β: 103.72 ± 0.03°
• γ: 101.25 ± 0.03°
• Cell volume: 537.3 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 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: 0.1386
• Residual factor for significantly intense reflections: 0.1219
• Weighted residual factors for significantly intense reflections: 0.3684
• Weighted residual factors for all reflections included in the refinement: 0.3759
• Goodness-of-fit parameter for all reflections included in the refinement: 1.15
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No