Information card for entry 7133384

Structure parameters

• Formula: C16 H17 N O2 S2
• Calculated formula: C16 H17 N O2 S2
• Title of publication: Chemical fixation of CO₂/CS₂ to access iodoallenyl oxazolidinones and allenyl thiazolidine-thiones.
• Authors of publication: Li, Xuejian; Liu, Qinglong; Song, Wangze
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2024
• Journal volume: 60
• Journal issue: 66
• Pages of publication: 8756 - 8759
• a: 18.822 ± 0.003 Å
• b: 9.4151 ± 0.0014 Å
• c: 9.3683 ± 0.0014 Å
• α: 90°
• β: 94.291 ± 0.004°
• γ: 90°
• Cell volume: 1655.5 ± 0.4 ų
• Cell temperature: 273 K
• Ambient diffraction temperature: 273 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: 0.0629
• Residual factor for significantly intense reflections: 0.0485
• Weighted residual factors for significantly intense reflections: 0.1247
• Weighted residual factors for all reflections included in the refinement: 0.1354
• Goodness-of-fit parameter for all reflections included in the refinement: 1.061
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No