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Information card for entry 2004879
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| Coordinates | 2004879.cif |
|---|---|
| Original IUCr paper | HTML |
| Common name | Octahydrochrysene |
|---|---|
| Chemical name | 1,2,3,4,7,8,9,10-octahydrochrysene |
| Formula | C18 H20 |
| Calculated formula | C18 H20 |
| SMILES | C1CCc2c(C1)c1ccc3c(c1cc2)CCCC3 |
| Title of publication | Redetermination of Octahydrochrysene |
| Authors of publication | Burd, C. J.; Dobson, A. J.; Gerkin, R. E. |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 1996 |
| Journal volume | 52 |
| Journal issue | 5 |
| Pages of publication | 1241 - 1243 |
| a | 9.1293 ± 0.0007 Å |
| b | 7.2499 ± 0.0006 Å |
| c | 10.0753 ± 0.0008 Å |
| α | 90° |
| β | 100.793 ± 0.006° |
| γ | 90° |
| Cell volume | 655.05 ± 0.09 Å3 |
| Cell temperature | 296 K |
| Ambient diffraction temperature | 296 K |
| Number of distinct elements | 2 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for significantly intense reflections | 0.045 |
| Weighted residual factors for significantly intense reflections | 0.053 |
| Goodness-of-fit parameter for significantly intense reflections | 1.76 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
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