Information card for entry 1561184

Structure parameters

• Common name: 2STe-Ox
• Formula: C84 H108 O16 S4 Te2
• Calculated formula: C84 H108 O16 S4 Te2
• Title of publication: A tellura-Baeyer‒Villiger oxidation: one-step transformation of tellurophene into chiral tellurinate lactone
• Authors of publication: Wang, Shitao; Yan, Chaoxian; Zhao, Wenlong; Liu, Xiaolan; Yuan, Cheng-Shan; Zhang, Hao-Li; Shao, Xiangfeng
• Journal of publication: Chemical Science
• Year of publication: 2021
• Journal volume: 12
• Journal issue: 16
• Pages of publication: 5811 - 5817
• a: 19.1567 ± 0.001 Å
• b: 35.2402 ± 0.0017 Å
• c: 49.703 ± 0.002 Å
• α: 97.646 ± 0.002°
• β: 90.535 ± 0.002°
• γ: 92.72 ± 0.002°
• Cell volume: 33214 ± 3 ų
• Cell temperature: 170 ± 2 K
• Ambient diffraction temperature: 170 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1274
• Residual factor for significantly intense reflections: 0.0874
• Weighted residual factors for significantly intense reflections: 0.2278
• Weighted residual factors for all reflections included in the refinement: 0.2499
• Goodness-of-fit parameter for all reflections included in the refinement: 1.017
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No