Information card for entry 1561181

Structure parameters

• Common name: 2SeTe-ox-Cl
• Chemical name: 2SeTe-ox-Cl
• Formula: C42 H54 Cl2 O7 Se2 Te
• Calculated formula: C42 H54 Cl2 O7 Se2 Te
• SMILES: [Te]1(Cl)(Cl)Oc2c3c4c1c(OCCCC)c(OCCCC)c1[se]c5c(OCCCC)c(OCCCC)c6[se]c(c(OCCCC)c2OCCCC)c3c6c5c41
• 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: 9.902 ± 0.003 Å
• b: 14.643 ± 0.004 Å
• c: 16.12 ± 0.005 Å
• α: 106.116 ± 0.009°
• β: 104.058 ± 0.011°
• γ: 96.56 ± 0.009°
• Cell volume: 2136.4 ± 1.1 ų
• Cell temperature: 296.15 K
• Ambient diffraction temperature: 296.15 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: 0.103
• Residual factor for significantly intense reflections: 0.0792
• Weighted residual factors for significantly intense reflections: 0.2298
• Weighted residual factors for all reflections included in the refinement: 0.2564
• Goodness-of-fit parameter for all reflections included in the refinement: 1.118
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No