Information card for entry 7058807

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: 20.284 ± 0.004 Å
• b: 21.511 ± 0.006 Å
• c: 8.717 ± 0.006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3803 ± 3 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120.15 K
• Number of distinct elements: 5
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0731
• Residual factor for significantly intense reflections: 0.0467
• Weighted residual factors for significantly intense reflections: 0.0973
• Weighted residual factors for all reflections included in the refinement: 0.1082
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No