Information card for entry 7250056

Structure parameters

• Chemical name: 5,10-cis-di-t-butyl-cis-tradecahydrophosphanthrene 5,10-dioxide
• Formula: C20 H38 O2 P2
• Calculated formula: C20 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: 9.5497 ± 0.0002 Å
• b: 9.5497 ± 0.0002 Å
• c: 23.2662 ± 0.0008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2121.8 ± 0.1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 92
• Hermann-Mauguin space group symbol: P 41 21 2
• Hall space group symbol: P 4abw 2nw
• Residual factor for all reflections: 0.0359
• Residual factor for significantly intense reflections: 0.0347
• Weighted residual factors for significantly intense reflections: 0.0971
• Weighted residual factors for all reflections included in the refinement: 0.0985
• Goodness-of-fit parameter for all reflections included in the refinement: 1.094
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No