Information card for entry 7211638
| Formula |
C8 H8 N2 O8 |
| Calculated formula |
C8 H8 N2 O8 |
| Title of publication |
Hydrothermal in situ ligand reaction: copper(II)-mediated stepwise oxidation of 2,3,5- and 2,4,6-trimethylpyridine to pyridinecarboxylates |
| Authors of publication |
Li, Cui-Jin; Lin, Zhuojia; Yun, Lei; Xie, Yu-Ling; Leng, Ji-Dong; Ou, Yong-Cong; Tong, Ming-Liang |
| Journal of publication |
CrystEngComm |
| Year of publication |
2010 |
| Journal volume |
12 |
| Journal issue |
2 |
| Pages of publication |
425 |
| a |
4.8656 ± 0.0005 Å |
| b |
9.764 ± 0.0012 Å |
| c |
11.1677 ± 0.0014 Å |
| α |
73.703 ± 0.011° |
| β |
80.971 ± 0.01° |
| γ |
80.399 ± 0.009° |
| Cell volume |
498.69 ± 0.11 Å3 |
| Cell temperature |
123 ± 2 K |
| Ambient diffraction temperature |
123 ± 2 K |
| Number of distinct elements |
4 |
| Space group number |
2 |
| Hermann-Mauguin space group symbol |
P -1 |
| Hall space group symbol |
-P 1 |
| Residual factor for all reflections |
0.1089 |
| Residual factor for significantly intense reflections |
0.088 |
| Weighted residual factors for significantly intense reflections |
0.2504 |
| Weighted residual factors for all reflections included in the refinement |
0.2658 |
| Goodness-of-fit parameter for all reflections included in the refinement |
1.075 |
| Diffraction radiation wavelength |
1.54178 Å |
| Diffraction radiation type |
CuKα |
| Has coordinates |
Yes |
| Has disorder |
No |
| Has Fobs |
No |
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https://www.crystallography.net/7211638.html
