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Information card for entry 1572026
Preview
| Coordinates | 1572026.cif |
|---|---|
| Original IUCr paper | HTML |
| Common name | 1,2,4,5-Tetrahydroxybenzene |
|---|---|
| Chemical name | Benzene-1,2,4,5-tetrol |
| Formula | C6 H6 O4 |
| Calculated formula | C6 H6 O4 |
| Title of publication | Benzene-1,2,4,5-tetrol |
| Authors of publication | Weare, Benjamin L.; Hoggett, Sean; Cull, William J.; Argent, Stephen P.; Khlobystov, Andrei N.; Brown, Paul D. |
| Journal of publication | IUCrData |
| Year of publication | 2024 |
| Journal volume | 9 |
| Journal issue | 6 |
| a | 3.7474 ± 0.0002 Å |
| b | 11.6254 ± 0.0006 Å |
| c | 13.7771 ± 0.0008 Å |
| α | 68.407 ± 0.005° |
| β | 85.779 ± 0.004° |
| γ | 89.843 ± 0.004° |
| Cell volume | 556.37 ± 0.06 Å3 |
| Cell temperature | 120 ± 2 K |
| Ambient diffraction temperature | 120 ± 2 K |
| Number of distinct elements | 3 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0521 |
| Residual factor for significantly intense reflections | 0.0445 |
| Weighted residual factors for significantly intense reflections | 0.1263 |
| Weighted residual factors for all reflections included in the refinement | 0.1327 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.087 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 292684 (current) | 2024-07-02 | cif/ Adding structures of 1572026 via cif-deposit CGI script. |
1572026.cif |
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Users of the data should acknowledge the original authors of the
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