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Information card for entry 4032148
Preview
| Coordinates | 4032148.cif |
|---|---|
| Original paper (by DOI) | HTML |
| 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 Å3 |
| 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 |
| Revision | Date | Message | Files |
|---|---|---|---|
| 193594 (current) | 2017-03-04 | cif/ Updating files of 4032147, 4032148, 4032149 Original log message: Adding full bibliography for 4032147--4032149.cif. |
4032148.cif |
| 190843 | 2017-01-24 | cif/ Adding structures of 4032147, 4032148, 4032149 via cif-deposit CGI script. |
4032148.cif |
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Users of the data should acknowledge the original authors of the
structural data.