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Information card for entry 8107671
Preview
| Coordinates | 8107671.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C16 H11 N O2 |
|---|---|
| Calculated formula | C16 H11 N O2 |
| Title of publication | The crystal structure of 2-anilino-1,4-naphthoquinone, C10H11NO2 |
| Authors of publication | Elmakki, Mohammed A.; Taoana, Thato N.; Jacobs, Frederick J. F.; Venter, Johan A. |
| Journal of publication | Zeitschrift für Kristallographie - New Crystal Structures |
| Year of publication | 2023 |
| Journal volume | 238 |
| Journal issue | 6 |
| Pages of publication | 1101 - 1102 |
| a | 3.7617 ± 0.0003 Å |
| b | 12.9267 ± 0.001 Å |
| c | 23.4609 ± 0.0017 Å |
| α | 90° |
| β | 92.337 ± 0.003° |
| γ | 90° |
| Cell volume | 1139.87 ± 0.15 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 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 | 0.0506 |
| Residual factor for significantly intense reflections | 0.0413 |
| Weighted residual factors for significantly intense reflections | 0.1012 |
| Weighted residual factors for all reflections included in the refinement | 0.1071 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.083 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 287770 (current) | 2023-11-24 | cif/ Adding structures of 8107671 via cif-deposit CGI script. |
8107671.cif |
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Users of the data should acknowledge the original authors of the
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