Information card for entry 4032148

Structure parameters

• Formula: C10 H12 N2 O8 S2
• Calculated formula: C10 H12 N2 O8 S2
• SMILES: c1[nH+]cccc1.O(S(=O)(=O)[O-])OS(=O)(=O)[O-].c1cccc[nH+]1
• Title of publication: Oxidation of Aromatic Aldehydes to Esters: A Sulfate Radical Redox System.
• Authors of publication: Guo, Ya-Fei; Mahmood, Sajid; Xu, Bao-Hua; Yao, Xiao-Qian; He, Hong-Yan; Zhang, Suo-Jiang
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2017
• Journal volume: 82
• Journal issue: 3
• Pages of publication: 1591 - 1599
• a: 6.8561 ± 0.0017 Å
• b: 7.0999 ± 0.0014 Å
• c: 7.969 ± 0.002 Å
• α: 70.08 ± 0.006°
• β: 88.026 ± 0.007°
• γ: 79.211 ± 0.008°
• Cell volume: 358.08 ± 0.15 ų
• 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: 0.034
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No