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Information card for entry 3500104
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| Coordinates | 3500104.cif |
|---|---|
| Structure factors | 3500104.hkl |
| Common name | 1-chloro-3,5-dimethoxybenzene |
|---|---|
| Chemical name | 1-chloro-3,5-dimethoxybenzene |
| Formula | C8 H9 Cl O2 |
| Calculated formula | C8 H9 Cl O2 |
| Authors of publication | Thierry Maris |
| Journal of publication | Personal communication to COD |
| Year of publication | 2020 |
| a | 12.0723 ± 0.0006 Å |
| b | 13.3794 ± 0.0007 Å |
| c | 4.8987 ± 0.0002 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 791.24 ± 0.07 Å3 |
| Cell temperature | 100 K |
| Ambient diffraction temperature | 100 K |
| Number of distinct elements | 4 |
| Space group number | 62 |
| Hermann-Mauguin space group symbol | P n m a |
| Hall space group symbol | -P 2ac 2n |
| Residual factor for all reflections | 0.0264 |
| Residual factor for significantly intense reflections | 0.0251 |
| Weighted residual factors for significantly intense reflections | 0.0656 |
| Weighted residual factors for all reflections included in the refinement | 0.0667 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.065 |
| 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 |
|---|---|---|---|
| 251905 (current) | 2020-05-08 | cif/ hkl/ Adding structures of 3500104 via cif-deposit CGI script. |
3500104.cif 3500104.hkl |
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Users of the data should acknowledge the original authors of the
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