Information card for entry 7058800

Structure parameters

• Formula: C16 H18 O4 P2 S3
• Calculated formula: C16 H18 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: 7.2217 ± 0.0005 Å
• b: 15.7169 ± 0.0006 Å
• c: 33.5977 ± 0.0017 Å
• α: 90°
• β: 92.598 ± 0.005°
• γ: 90°
• Cell volume: 3809.5 ± 0.4 ų
• Cell temperature: 130 ± 2 K
• Ambient diffraction temperature: 130 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.094
• Residual factor for significantly intense reflections: 0.0528
• Weighted residual factors for significantly intense reflections: 0.1106
• Weighted residual factors for all reflections included in the refinement: 0.1269
• Goodness-of-fit parameter for all reflections included in the refinement: 1.024
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No