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Information card for entry 2005576
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| Coordinates | 2005576.cif |
|---|---|
| Original IUCr paper | HTML |
| Common name | 2-naphthoic acid |
|---|---|
| Chemical name | naphthalene-2-carboxylic acid |
| Formula | C11 H8 O2 |
| Calculated formula | C11 H9 O2 |
| SMILES | O=C(O)c1cc2ccccc2cc1 |
| Title of publication | 2-Naphthoic Acid at 153K |
| Authors of publication | Blackburn, A. C.; Fitzgerald, L. J.; Gerkin, R. E. |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 1996 |
| Journal volume | 52 |
| Journal issue | 11 |
| Pages of publication | 2862 - 2864 |
| a | 5.58 ± 0.001 Å |
| b | 4.916 ± 0.001 Å |
| c | 30.174 ± 0.002 Å |
| α | 90° |
| β | 91.74 ± 0.02° |
| γ | 90° |
| Cell volume | 827.3 ± 0.2 Å3 |
| Cell temperature | 153 K |
| Ambient diffraction temperature | 153 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 significantly intense reflections | 0.039 |
| Weighted residual factors for significantly intense reflections | 0.047 |
| Goodness-of-fit parameter for significantly intense reflections | 1.74 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
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