Information card for entry 7157890

Structure parameters

• Formula: C19 H12 O6 S
• Calculated formula: C19 H12 O6 S
• Title of publication: Synthesis of methanesulfone-containing tetrasubstituted carbon stereocenters.
• Authors of publication: Zhou, Wei; Tian, You-Ping; Zhou, Hao-Jie; Wang, Hui-Juan; Ren, Yan; Liu, Xiong-Li
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2021
• Journal volume: 19
• Journal issue: 10
• Pages of publication: 2269 - 2276
• a: 7.6249 ± 0.0005 Å
• b: 9.1227 ± 0.0005 Å
• c: 12.8047 ± 0.0009 Å
• α: 85.841 ± 0.005°
• β: 88.2 ± 0.005°
• γ: 81.018 ± 0.005°
• Cell volume: 877.27 ± 0.1 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 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: 0.0532
• Residual factor for significantly intense reflections: 0.047
• Weighted residual factors for significantly intense reflections: 0.1165
• Weighted residual factors for all reflections included in the refinement: 0.1205
• Goodness-of-fit parameter for all reflections included in the refinement: 1.097
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No