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Information card for entry 8107562
Preview
| Coordinates | 8107562.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C10 H5 N O4 |
|---|---|
| Calculated formula | C10 H5 N O4 |
| Title of publication | The crystal structure of 5-nitronaphthoquinone, C10H5NO4 |
| Authors of publication | Barrientos, Claudio; Galdámez, Antonio; Moris, Silvana |
| Journal of publication | Zeitschrift für Kristallographie - New Crystal Structures |
| Year of publication | 2023 |
| Journal volume | 238 |
| Journal issue | 4 |
| Pages of publication | 787 - 789 |
| a | 9.2564 ± 0.0008 Å |
| b | 11.0464 ± 0.0009 Å |
| c | 14.8016 ± 0.0012 Å |
| α | 110.132 ± 0.002° |
| β | 106.157 ± 0.003° |
| γ | 94.77 ± 0.003° |
| Cell volume | 1337.7 ± 0.2 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296.15 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 | 0.0991 |
| Residual factor for significantly intense reflections | 0.0567 |
| Weighted residual factors for significantly intense reflections | 0.1456 |
| Weighted residual factors for all reflections included in the refinement | 0.1797 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.0358 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 286573 (current) | 2023-09-28 | cif/ Adding structures of 8107562 via cif-deposit CGI script. |
8107562.cif |
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Users of the data should acknowledge the original authors of the
structural data.