Information card for entry 7239714

Structure parameters

• Formula: C11 H10 O2 S
• Calculated formula: C11 H10 O2 S
• Title of publication: General sulfone construction via sulfur dioxide surrogate control
• Authors of publication: Chen, Shihao; Li, Yaping; Wang, Ming; Jiang, Xuefeng
• Journal of publication: Green Chemistry
• Year of publication: 2020
• Journal volume: 22
• Journal issue: 2
• Pages of publication: 322 - 326
• a: 11.2374 ± 0.0001 Å
• b: 10.3578 ± 0.0001 Å
• c: 16.9587 ± 0.0001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1973.9 ± 0.03 ų
• Cell temperature: 292.7 ± 0.6 K
• Ambient diffraction temperature: 292.7 ± 0.6 K
• Number of distinct elements: 4
• 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: 0.0351
• Residual factor for significantly intense reflections: 0.034
• Weighted residual factors for significantly intense reflections: 0.0916
• Weighted residual factors for all reflections included in the refinement: 0.0927
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No