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Information card for entry 7051321
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| Coordinates | 7051321.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | 1,8-dimethylnaphthalene |
|---|---|
| Chemical name | 1,8-dimethylnaphthalene |
| Formula | C12 H12 |
| Calculated formula | C12 H12 |
| SMILES | c1(cccc2c1c(ccc2)C)C |
| Title of publication | Methyl group librations in sterically hindered dimethylnaphthalene molecules: neutron diffraction studies of 1,8-dimethylnaphthalene between 50 and 200 K |
| Authors of publication | Wilson, Chick C.; Nowell, Harriott |
| Journal of publication | New Journal of Chemistry |
| Year of publication | 2000 |
| Journal volume | 24 |
| Journal issue | 12 |
| Pages of publication | 1063 |
| a | 9.646 ± 0.002 Å |
| b | 6.904 ± 0.002 Å |
| c | 16.131 ± 0.004 Å |
| α | 90° |
| β | 124.43 ± 0.02° |
| γ | 90° |
| Cell volume | 886.1 ± 0.4 Å3 |
| Cell temperature | 50 ± 1 K |
| Ambient diffraction temperature | 50 ± 1 K |
| Number of distinct elements | 2 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.0743 |
| Residual factor for significantly intense reflections | 0.0743 |
| Weighted residual factors for significantly intense reflections | 0.1823 |
| Weighted residual factors for all reflections included in the refinement | 0.1823 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.097 |
| Diffraction radiation probe | neutron |
| Diffraction radiation type | neutron |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
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