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Information card for entry 2241392
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| Coordinates | 2241392.cif |
|---|---|
| Structure factors | 2241392.hkl |
| Original IUCr paper | HTML |
| Chemical name | 3,4-Dimethoxyphenol |
|---|---|
| Formula | C8 H10 O3 |
| Calculated formula | C8 H10 O3 |
| SMILES | Oc1cc(OC)c(OC)cc1 |
| Title of publication | Crystal structure of 3,4-dimethoxyphenol |
| Authors of publication | Mills-Robles, Heather A.; Desikan, Vasumathi; Golen, James A.; Manke, David R. |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2015 |
| Journal volume | 71 |
| Journal issue | 12 |
| Pages of publication | o1019 |
| a | 8.7477 ± 0.0004 Å |
| b | 13.8218 ± 0.0007 Å |
| c | 26.6422 ± 0.0013 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 3221.3 ± 0.3 Å3 |
| Cell temperature | 120 ± 2 K |
| Ambient diffraction temperature | 120.02 K |
| Number of distinct elements | 3 |
| Space group number | 61 |
| Hermann-Mauguin space group symbol | P b c a |
| Hall space group symbol | -P 2ac 2ab |
| Residual factor for all reflections | 0.0514 |
| Residual factor for significantly intense reflections | 0.0423 |
| Weighted residual factors for significantly intense reflections | 0.1095 |
| Weighted residual factors for all reflections included in the refinement | 0.1156 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.042 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181914 (current) | 2016-04-06 | hkl/2/24/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/24/13. |
2241392.cif 2241392.hkl |
| 171474 | 2015-12-13 | cif/ hkl/ Adding structures of 2241392 via cif-deposit CGI script. |
2241392.cif 2241392.hkl |
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Users of the data should acknowledge the original authors of the
structural data.