Information card for entry 7213486

Structure parameters

• Chemical name: meso-3,3'-dioxo-6,7,6',7'-tetrahydro- 5H,5H'-[2,2']bi([1,3]thiazolo[3,2-a]pyridinyl)-2,2',8,8'-tetracarboxylate
• Formula: C26 H32 N2 O10 S2
• Calculated formula: C26 H32 N2 O10 S2
• Title of publication: Influence of ring size on the outcome of sulfide contraction reactions with thiolactams. Isolation of bicyclic ketene S,N-acetals and thioisomünchnones
• Authors of publication: Michael, Joseph P.; de Koning, Charles B.; van der Westhuyzen, Christiaan W.; Fernandes, Manuel A.
• Journal of publication: Journal of the Chemical Society, Perkin Transactions 1
• Year of publication: 2001
• Journal issue: 17
• Pages of publication: 2055
• a: 9.1807 ± 0.0019 Å
• b: 11.696 ± 0.002 Å
• c: 13.88 ± 0.003 Å
• α: 90°
• β: 105.103 ± 0.004°
• γ: 90°
• Cell volume: 1438.9 ± 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: 0.1044
• Residual factor for significantly intense reflections: 0.0516
• Weighted residual factors for significantly intense reflections: 0.1381
• Weighted residual factors for all reflections included in the refinement: 0.16
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No