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Information card for entry 2011093
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| Coordinates | 2011093.cif |
|---|---|
| Structure factors | 2011093.hkl |
| Original IUCr paper | HTML |
| Chemical name | 12,13-Dihydrobenzo[e]napth[2,1-g]azulen-14(11H)-one |
|---|---|
| Formula | C22 H16 O |
| Calculated formula | C22 H16 O |
| SMILES | O=c1c2CCCc2c2ccccc2c2ccc3ccccc3c12 |
| 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 | 11.8466 ± 0.0012 Å |
| b | 12.489 ± 0.0015 Å |
| c | 20.703 ± 0.002 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 3063.1 ± 0.6 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 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 | 0.058 |
| Residual factor for significantly intense reflections | 0.037 |
| Weighted residual factors for all reflections included in the refinement | 0.11 |
| 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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