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Information card for entry 2008141
Preview
| Coordinates | 2008141.cif |
|---|---|
| Original IUCr paper | HTML |
| Formula | C28 H18 Cr O4 |
|---|---|
| Calculated formula | C28 H18 Cr O4 |
| SMILES | [Cr](C#[O])(C#[O])(C#[O])([cH]12)([cH]13)([cH]21)([cH]12)([c]214)[c]13ccc(c14)OC(C=C1)(c1ccccc1)c1ccccc1 |
| Title of publication | Tricarbonyl[(6a,7,8,9,10,10a-η)-3,3-diphenyl-3<i>H</i>-benzo[<i>f</i>]chromene]chromium |
| Authors of publication | Hannesschlager, Patrick; Brun, Pierre; Pèpe, Gérard |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 1999 |
| Journal volume | 55 |
| Journal issue | 2 |
| Pages of publication | 200 - 202 |
| a | 8.038 ± 0.002 Å |
| b | 20.482 ± 0.004 Å |
| c | 13.677 ± 0.003 Å |
| α | 90° |
| β | 91.76 ± 0.02° |
| γ | 90° |
| Cell volume | 2250.6 ± 0.9 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/a 1 |
| Hall space group symbol | -P 2yab |
| Residual factor for all reflections | 0.0441 |
| Residual factor for significantly intense reflections | 0.0397 |
| Weighted residual factors for all reflections | 0.0789 |
| Weighted residual factors for significantly intense reflections | 0.0773 |
| Goodness-of-fit parameter for all reflections | 0.808 |
| Goodness-of-fit parameter for significantly intense reflections | 0.987 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
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