Information card for entry 7129144

Structure parameters

• Chemical name: 5,5-Dimethyl-3-(3-thiophenyl)-2,4-oxazolidinedione
• Formula: C9 H9 N O3 S
• Calculated formula: C9 H9 N O3 S
• Title of publication: Cu-catalyzed C(sp2)-N-bond coupling of boronic acids and cyclic imides
• Authors of publication: Berntsen, Linn Neerbye; Nordbø Solvi, Thomas; Sørnes, Kristian; Wragg, David S.; Sandtorv, Alexander Harald H.
• Journal of publication: Chemical Communications
• Year of publication: 2021
• a: 13.5471 ± 0.001 Å
• b: 7.5236 ± 0.0005 Å
• c: 18.4113 ± 0.0014 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1876.5 ± 0.2 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 5
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0452
• Residual factor for significantly intense reflections: 0.0326
• Weighted residual factors for significantly intense reflections: 0.0753
• Weighted residual factors for all reflections included in the refinement: 0.0804
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0526
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No