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Information card for entry 2010539
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| Coordinates | 2010539.cif |
|---|---|
| Structure factors | 2010539.hkl |
| Original IUCr paper | HTML |
| Common name | 2,2'-bis(4,4-diphenyl-2,5-cyclohexadienone)diselenide |
|---|---|
| Chemical name | 2,2'-Diselenobis(4,4-diphenylcyclohexa-2,5-dienone) |
| Formula | C36 H26 O2 Se2 |
| Calculated formula | C36 H26 O2 Se2 |
| SMILES | C1(=O)C(=CC(C=C1)(c1ccccc1)c1ccccc1)[Se][Se]C1=CC(C=CC1=O)(c1ccccc1)c1ccccc1 |
| Title of publication | 2,2'-Diselenobis(4,4-diphenylcyclohexa-2,5-dienone) |
| Authors of publication | Senthil Kumar, V. S.; Nangia, Ashwini; 2,2'-Diselenobis(4,4-diphenylcyclohexa-2,5-dienone) |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 2000 |
| Journal volume | 56 |
| Journal issue | 1 |
| Pages of publication | 123 - 124 |
| a | 17.4144 ± 0.0016 Å |
| b | 10.6767 ± 0.001 Å |
| c | 15.2187 ± 0.0014 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 2829.6 ± 0.5 Å3 |
| Cell temperature | 168 ± 2 K |
| Ambient diffraction temperature | 168 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 56 |
| Hermann-Mauguin space group symbol | P c c n |
| Hall space group symbol | -P 2ab 2ac |
| Residual factor for all reflections | 0.038 |
| Residual factor for significantly intense reflections | 0.031 |
| Weighted residual factors for all reflections | 0.086 |
| Weighted residual factors for significantly intense reflections | 0.081 |
| Goodness-of-fit parameter for all reflections | 1.06 |
| Goodness-of-fit parameter for significantly intense reflections | 1.093 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
Version history
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Users of the data should acknowledge the original authors of the
structural data.