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Information card for entry 2200038
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| Coordinates | 2200038.cif |
|---|---|
| Structure factors | 2200038.hkl |
| Original IUCr paper | HTML |
| Common name | 2-Naphthyloxyacetic acid |
|---|---|
| Chemical name | 2-Naphthalenyloxyethanoic acid |
| Formula | C12 H10 O3 |
| Calculated formula | C12 H10 O3 |
| SMILES | c1(cc2ccccc2cc1)OCC(=O)O |
| Title of publication | Redetermination of 2-(naphthalen-2-yloxy)ethanoic acid |
| Authors of publication | Howie, R. Alan; Skakle, Janet M. S.; Wardell, Solange M. S. V. |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2001 |
| Journal volume | 57 |
| Journal issue | 1 |
| Pages of publication | o72 - o74 |
| a | 12.3112 ± 0.001 Å |
| b | 6.8401 ± 0.0005 Å |
| c | 13.1658 ± 0.001 Å |
| α | 90° |
| β | 116.507 ± 0.002° |
| γ | 90° |
| Cell volume | 992.14 ± 0.13 Å3 |
| Cell temperature | 295 ± 2 K |
| Ambient diffraction temperature | 295 ± 2 K |
| Number of distinct elements | 3 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.131 |
| Residual factor for significantly intense reflections | 0.049 |
| Weighted residual factors for all reflections included in the refinement | 0.126 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.82 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
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