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Information card for entry 8105567
Preview
| Coordinates | 8105567.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C14 H19 N2 O4 |
|---|---|
| Calculated formula | C14 H19 N2 O4 |
| SMILES | C1(c2cc(c(cc2)O)OC)=N(C(C(C)(C)[N]1=O)(C)C)=O |
| Title of publication | The crystal structure of 2-[4-hydroxy-3-methoxyphenyl]-4,4,5,5-tetramethylimidazoline-3-oxide-1-oxyl, C14H19N2O4 |
| Authors of publication | Yin, Mei; Jing, Lin-Lin; Li, Bo; Liu, Yu-Zhi; Gao, Peng; Wang, Hai-Bo |
| Journal of publication | Zeitschrift für Kristallographie - New Crystal Structures |
| Year of publication | 2018 |
| Journal volume | 234 |
| Journal issue | 1 |
| Pages of publication | 137 - 138 |
| a | 9.263 ± 0.01 Å |
| b | 9.847 ± 0.011 Å |
| c | 15.431 ± 0.016 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1408 ± 3 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 19 |
| Hermann-Mauguin space group symbol | P 21 21 21 |
| Hall space group symbol | P 2ac 2ab |
| Residual factor for all reflections | 0.0892 |
| Residual factor for significantly intense reflections | 0.0542 |
| Weighted residual factors for significantly intense reflections | 0.1132 |
| Weighted residual factors for all reflections included in the refinement | 0.1323 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.089 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 276398 (current) | 2022-06-29 | cif/ Adding structures of 8105567 via cif-deposit CGI script. |
8105567.cif |
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Users of the data should acknowledge the original authors of the
structural data.