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Information card for entry 3500101
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| Coordinates | 3500101.cif |
|---|---|
| Structure factors | 3500101.hkl |
| Common name | 1,2,3-trimethoxybenzene |
|---|---|
| Chemical name | 1,2,3-trimethoxybenzene |
| Formula | C9 H12 O3 |
| Calculated formula | C9 H12 O3 |
| Authors of publication | Thierry Maris |
| Journal of publication | Personal communication to COD |
| Year of publication | 2020 |
| a | 12.9744 ± 0.0012 Å |
| b | 5.1182 ± 0.0005 Å |
| c | 12.7942 ± 0.0013 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 849.61 ± 0.14 Å3 |
| Cell temperature | 100 K |
| Ambient diffraction temperature | 100 K |
| Number of distinct elements | 3 |
| Space group number | 33 |
| Hermann-Mauguin space group symbol | P n a 21 |
| Hall space group symbol | P 2c -2n |
| Residual factor for all reflections | 0.0348 |
| Residual factor for significantly intense reflections | 0.0318 |
| Weighted residual factors for significantly intense reflections | 0.0745 |
| Weighted residual factors for all reflections included in the refinement | 0.0765 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.051 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 1.34139 Å |
| Diffraction radiation type | GaKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 251901 (current) | 2020-05-08 | cif/ hkl/ Adding structures of 3500101 via cif-deposit CGI script. |
3500101.cif 3500101.hkl |
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Users of the data should acknowledge the original authors of the
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