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Information card for entry 2005106
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| Coordinates | 2005106.cif |
|---|---|
| Original IUCr paper | HTML |
| Chemical name | 8,9,10,11-Tetrahydrobenz[c]acridine. |
|---|---|
| Formula | C17 H15 N |
| Calculated formula | C17 H15 N |
| SMILES | n1c2CCCCc2cc2ccc3ccccc3c12 |
| Title of publication | 8,9,10,11-Tetrahydrobenz[<i>c</i>]acridine |
| Authors of publication | Ray, J. K.; Haldar, M. K.; Nigam, G. D.; Sivakumar, K.; Fun, H.-K. |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 1996 |
| Journal volume | 52 |
| Journal issue | 7 |
| Pages of publication | 1813 - 1815 |
| a | 7.4402 ± 0.0008 Å |
| b | 14.8767 ± 0.0013 Å |
| c | 11.5652 ± 0.0012 Å |
| α | 90° |
| β | 105.539 ± 0.009° |
| γ | 90° |
| Cell volume | 1233.3 ± 0.2 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 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 | 0.0585 |
| Residual factor for significantly intense reflections | 0.0429 |
| Weighted residual factors for all reflections | 0.1356 |
| Weighted residual factors for significantly intense reflections | 0.1279 |
| Goodness-of-fit parameter for all reflections | 1.064 |
| Goodness-of-fit parameter for significantly intense reflections | 1.187 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
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