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Information card for entry 2005249
Preview
| Coordinates | 2005249.cif |
|---|---|
| Original IUCr paper | HTML |
| Chemical name | Methyl-{4-[8-(4-trifluoromethyl-phenyl)-naphthalen-1-yl]-phenyl}-selane |
|---|---|
| Formula | C24 H17 F3 Se |
| Calculated formula | C24 H17 F3 Se |
| Title of publication | Methyl {4-[8-(4-Trifluoromethylphenyl)naphthalen-1-yl]phenyl} Selenide |
| Authors of publication | Bahl, A.; Grahn, W.; Jones, P. G. |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 1996 |
| Journal volume | 52 |
| Journal issue | 8 |
| Pages of publication | 2017 - 2020 |
| a | 9.376 ± 0.001 Å |
| b | 9.187 ± 0.002 Å |
| c | 22.287 ± 0.005 Å |
| α | 90° |
| β | 94.62 ± 0.01° |
| γ | 90° |
| Cell volume | 1913.5 ± 0.6 Å3 |
| Cell temperature | 143 ± 2 K |
| Ambient diffraction temperature | 143 ± 2 K |
| Number of distinct elements | 4 |
| 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 | 0.064 |
| Residual factor for significantly intense reflections | 0.0492 |
| Weighted residual factors for all reflections | 0.1327 |
| Weighted residual factors for significantly intense reflections | 0.1132 |
| Goodness-of-fit parameter for all reflections | 1.038 |
| Goodness-of-fit parameter for significantly intense reflections | 1.03 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
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