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Information card for entry 3500068
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| Coordinates | 3500068.cif |
|---|---|
| Structure factors | 3500068.hkl |
| Common name | 1,2-Benzenedimethanol |
|---|---|
| Formula | C8 H10 O2 |
| Calculated formula | C8 H10 O2 |
| Authors of publication | Thierry Maris |
| Journal of publication | Personal communication to COD |
| Year of publication | 2017 |
| a | 15.0049 ± 0.0006 Å |
| b | 7.5241 ± 0.0003 Å |
| c | 13.8287 ± 0.0009 Å |
| α | 90° |
| β | 117.323 ± 0.001° |
| γ | 90° |
| Cell volume | 1387.06 ± 0.12 Å3 |
| Cell temperature | 100 K |
| Ambient diffraction temperature | 100 K |
| Number of distinct elements | 3 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for all reflections | 0.0355 |
| Residual factor for significantly intense reflections | 0.0344 |
| Weighted residual factors for significantly intense reflections | 0.0923 |
| Weighted residual factors for all reflections included in the refinement | 0.0935 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.049 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 1.34139 Å |
| Diffraction radiation type | GaKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 197524 (current) | 2017-06-05 | cif/ hkl/ Adding structures of 3500068 via cif-deposit CGI script. |
3500068.cif 3500068.hkl |
All data in the COD and the database itself are dedicated to the
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.
Users of the data should acknowledge the original authors of the
structural data.