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Information card for entry 2006495
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| Coordinates | 2006495.cif |
|---|---|
| Original IUCr paper | HTML |
| Common name | phenanthrene-9-carboxylic acid |
|---|---|
| Chemical name | phenanthrene-9-carboxylic acid |
| Formula | C15 H10 O2 |
| Calculated formula | C15 H10 O2 |
| SMILES | OC(=O)c1cc2ccccc2c2c1cccc2 |
| Title of publication | Phenanthrene-9-carboxylic Acid |
| Authors of publication | Fitzgerald, Lawrence J.; Gerkin, Roger E. |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 1997 |
| Journal volume | 53 |
| Journal issue | 9 |
| Pages of publication | 1265 - 1267 |
| a | 19.824 ± 0.002 Å |
| b | 5.373 ± 0.002 Å |
| c | 21.638 ± 0.001 Å |
| α | 90° |
| β | 113.308 ± 0.006° |
| γ | 90° |
| Cell volume | 2116.7 ± 0.8 Å3 |
| Cell temperature | 296 K |
| Ambient diffraction temperature | 296 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 significantly intense reflections | 0.044 |
| Weighted residual factors for all reflections included in the refinement | 0.048 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.64 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
Version history
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Users of the data should acknowledge the original authors of the
structural data.