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Information card for entry 8104552
Preview
| Coordinates | 8104552.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C7 H6 N2 O5 |
|---|---|
| Calculated formula | C7 H6 N2 O5 |
| Title of publication | The crystal structure of 3-methyl-2,6-dinitrophenol, C7H6N2O5 |
| Authors of publication | Jiayuan, He; Yunzhang, Liu; Kaiyue, Zhang; Lizhen, Chen; Jianlong, Wang |
| Journal of publication | Zeitschrift für Kristallographie - New Crystal Structures |
| Year of publication | 2021 |
| Journal volume | 236 |
| Journal issue | 6 |
| Pages of publication | 1151 - 1153 |
| a | 9.5931 ± 0.0016 Å |
| b | 17.332 ± 0.003 Å |
| c | 9.8989 ± 0.0014 Å |
| α | 90° |
| β | 94.902 ± 0.005° |
| γ | 90° |
| Cell volume | 1639.8 ± 0.5 Å3 |
| Cell temperature | 170 K |
| Ambient diffraction temperature | 170 K |
| Number of distinct elements | 4 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.1109 |
| Residual factor for significantly intense reflections | 0.0619 |
| Weighted residual factors for significantly intense reflections | 0.1502 |
| Weighted residual factors for all reflections included in the refinement | 0.1784 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.029 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 272872 (current) | 2022-02-09 | cif/ Adding structures of 8104552 via cif-deposit CGI script. |
8104552.cif |
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Users of the data should acknowledge the original authors of the
structural data.