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Information card for entry 2203597
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| Coordinates | 2203597.cif |
|---|---|
| Structure factors | 2203597.hkl |
| Original IUCr paper | HTML |
| Common name | 1-naphthol |
|---|---|
| Chemical name | 1-naphthalenol |
| Formula | C10 H8 O |
| Calculated formula | C10 H8 O |
| SMILES | c12c(cccc1O)cccc2 |
| Title of publication | Redetermination of 1-naphthalenol |
| Authors of publication | Rozycka-Sokolowska, Ewa; Marciniak, Bernard; Pavlyuk, Volodymyr |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2004 |
| Journal volume | 60 |
| Journal issue | 5 |
| Pages of publication | o884 - o885 |
| a | 13.171 ± 0.002 Å |
| b | 4.798 ± 0.001 Å |
| c | 13.276 ± 0.003 Å |
| α | 90° |
| β | 117.12 ± 0.02° |
| γ | 90° |
| Cell volume | 746.7 ± 0.3 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 3 |
| 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 | 0.0519 |
| Residual factor for significantly intense reflections | 0.0374 |
| Weighted residual factors for significantly intense reflections | 0.1055 |
| Weighted residual factors for all reflections included in the refinement | 0.1125 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.016 |
| Diffraction radiation wavelength | 0.71069 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
Version history
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Users of the data should acknowledge the original authors of the
structural data.