Information card for entry 7127403

Structure parameters

• Formula: C15 H12 O3 S
• Calculated formula: C15 H12 O3 S
• Title of publication: Rongalite as a sulfone source: a novel copper-catalyzed sulfur dioxide anion incorporation process.
• Authors of publication: Chen, Xiang-Long; Tang, Bo-Cheng; He, Cai; Ma, Jin-Tian; Zhuang, Shi-Yi; Wu, Yan-Dong; Wu, An-Xin
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2020
• Journal volume: 56
• Journal issue: 88
• Pages of publication: 13653 - 13656
• a: 10.049 ± 0.003 Å
• b: 10.24 ± 0.003 Å
• c: 13.391 ± 0.004 Å
• α: 76.934 ± 0.004°
• β: 77.667 ± 0.004°
• γ: 71.574 ± 0.004°
• Cell volume: 1258.3 ± 0.6 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0708
• Residual factor for significantly intense reflections: 0.0634
• Weighted residual factors for significantly intense reflections: 0.1627
• Weighted residual factors for all reflections included in the refinement: 0.1778
• Goodness-of-fit parameter for all reflections included in the refinement: 1.185
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No