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Information card for entry 2011092
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| Coordinates | 2011092.cif |
|---|---|
| Structure factors | 2011092.hkl |
| Original IUCr paper | HTML |
| Chemical name | 6,7-Dihydrodibenz[e,g]azulen-8(5H)-one |
|---|---|
| Formula | C18 H14 O |
| Calculated formula | C18 H14 O |
| SMILES | O=c1c2ccccc2c2ccccc2c2CCCc12 |
| Title of publication | 6,7-Dihydrodibenzo[<i>e</i>,<i>g</i>]azulen-8(5<i>H</i>)-one and 12,13-dihydrobenzo[<i>e</i>]napth[2,1-<i>g</i>]azulen-14(11<i>H</i>)-one |
| Authors of publication | Ajees, A. Abdul; Ponnuswamy, M. N.; Parthasarathy, S.; Huq, C. A. M. A. |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 2000 |
| Journal volume | 56 |
| Journal issue | 7 |
| Pages of publication | 824 - 826 |
| a | 8.0547 ± 0.0011 Å |
| b | 17.378 ± 0.002 Å |
| c | 17.919 ± 0.003 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 2508.2 ± 0.6 Å3 |
| Cell temperature | 273 ± 2 K |
| Ambient diffraction temperature | 273 ± 2 K |
| Number of distinct elements | 3 |
| Space group number | 61 |
| Hermann-Mauguin space group symbol | P b c a |
| Hall space group symbol | -P 2ac 2ab |
| Residual factor for all reflections | 0.059 |
| Residual factor for significantly intense reflections | 0.036 |
| Weighted residual factors for all reflections included in the refinement | 0.105 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.033 |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
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