Information card for entry 1561185

Structure parameters

• Common name: 2STe-ox-Cl
• Chemical name: 2STe-ox-Cl
• Formula: C42 H54 Cl2 O7 S2 Te
• Calculated formula: C42 H54 Cl2 O7 S2 Te
• 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: 9.8421 ± 0.0004 Å
• b: 14.6373 ± 0.0006 Å
• c: 16.1252 ± 0.0006 Å
• α: 107.209 ± 0.003°
• β: 103.814 ± 0.003°
• γ: 97.239 ± 0.003°
• Cell volume: 2105.86 ± 0.16 ų
• Cell temperature: 150 ± 0.1 K
• Ambient diffraction temperature: 150 ± 0.1 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1242
• Residual factor for significantly intense reflections: 0.1093
• Weighted residual factors for significantly intense reflections: 0.2875
• Weighted residual factors for all reflections included in the refinement: 0.3028
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No