Information card for entry 7058796

Structure parameters

• Formula: C20 H26 O4 P2 S4
• Calculated formula: C20 H26 O4 P2 S4
• Title of publication: Medium-sized cyclic bis(anisylphosphonothioyl)disulfanes and their corresponding cyclic sulfane-structures and most characteristic reactions
• Authors of publication: Przychodzeń, Witold; Chojnacki, Jarosław; Nierzwicki, Łukasz
• Journal of publication: New Journal of Chemistry
• Year of publication: 2019
• Journal volume: 43
• Journal issue: 38
• Pages of publication: 15413
• a: 12.6554 ± 0.0019 Å
• b: 8.5028 ± 0.0009 Å
• c: 23.058 ± 0.004 Å
• α: 90°
• β: 101.23 ± 0.012°
• γ: 90°
• Cell volume: 2433.7 ± 0.6 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0339
• Residual factor for significantly intense reflections: 0.0268
• Weighted residual factors for significantly intense reflections: 0.0706
• Weighted residual factors for all reflections included in the refinement: 0.0743
• Goodness-of-fit parameter for all reflections included in the refinement: 1.051
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No