Information card for entry 1561180

Structure parameters

• Common name: 2SeTe-Ox
• Formula: C84 H108 O16 Se4 Te2
• Calculated formula: C84 H108 O16 Se4 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: 18.8279 ± 0.001 Å
• b: 27.9082 ± 0.0016 Å
• c: 32.268 ± 0.003 Å
• α: 90°
• β: 106.815 ± 0.003°
• γ: 90°
• Cell volume: 16230 ± 2 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0978
• Residual factor for significantly intense reflections: 0.0588
• Weighted residual factors for significantly intense reflections: 0.1427
• Weighted residual factors for all reflections included in the refinement: 0.1657
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No