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Information card for entry 2006457
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| Coordinates | 2006457.cif |
|---|---|
| Original IUCr paper | HTML |
| Common name | 4-(3-phenanthryl)butanoic acid |
|---|---|
| Formula | C18 H16 O2 |
| Calculated formula | C18 H16 O2 |
| SMILES | OC(=O)CCCc1ccc2c(c1)c1ccccc1cc2 |
| Title of publication | 4-(3-Phenanthryl)butanoic Acid |
| Authors of publication | Gerkin, Roger E. |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 1997 |
| Journal volume | 53 |
| Journal issue | 9 |
| Pages of publication | 1275 - 1278 |
| a | 10.58 ± 0.002 Å |
| b | 5.034 ± 0.002 Å |
| c | 25.762 ± 0.002 Å |
| α | 90° |
| β | 91.56 ± 0.01° |
| γ | 90° |
| Cell volume | 1371.6 ± 0.6 Å3 |
| Cell temperature | 296 K |
| Ambient diffraction temperature | 296 K |
| Number of distinct elements | 3 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/a 1 |
| Hall space group symbol | -P 2yab |
| Residual factor for significantly intense reflections | 0.062 |
| Weighted residual factors for all reflections included in the refinement | 0.115 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.24 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
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Users of the data should acknowledge the original authors of the
structural data.