Information card for entry 7058804

Structure parameters

• Formula: C19 H24 O4 P2 S3
• Calculated formula: C19 H24 O4 P2 S3
• 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: 11.288 ± 0.0018 Å
• b: 18.3863 ± 0.0013 Å
• c: 12.2511 ± 0.0011 Å
• α: 90°
• β: 112.627 ± 0.013°
• γ: 90°
• Cell volume: 2346.9 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• 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: 0.1286
• Residual factor for significantly intense reflections: 0.061
• Weighted residual factors for significantly intense reflections: 0.133
• Weighted residual factors for all reflections included in the refinement: 0.1804
• Goodness-of-fit parameter for all reflections included in the refinement: 1.067
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No