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Information card for entry 2005205
Preview
| Coordinates | 2005205.cif |
|---|---|
| Original IUCr paper | HTML |
| Formula | C28 H38 B2 O6 |
|---|---|
| Calculated formula | C28 H38 B2 O6 |
| SMILES | C(=C(\B1OC(C(O1)(C)C)(C)C)c1ccc(cc1)OC)(B1OC(C(O1)(C)C)(C)C)/c1ccc(cc1)OC |
| Title of publication | The Product of Catalysed Diboration of Bis(4-methoxyphenyl)ethyne by Bis(pinacolato-<i>O</i>,<i>O</i>')diboron |
| Authors of publication | Clegg, W.; Scott, A. J.; Lesley, G.; Marder, T. B.; Norman, N. C. |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 1996 |
| Journal volume | 52 |
| Journal issue | 8 |
| Pages of publication | 1989 - 1991 |
| a | 20.733 ± 0.002 Å |
| b | 35.97 ± 0.003 Å |
| c | 14.66 ± 0.001 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 10932.9 ± 1.6 Å3 |
| Cell temperature | 160 ± 2 K |
| Ambient diffraction temperature | 160 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 43 |
| Hermann-Mauguin space group symbol | F d d 2 |
| Hall space group symbol | F 2 -2d |
| Residual factor for all reflections | 0.0353 |
| Residual factor for significantly intense reflections | 0.0304 |
| Weighted residual factors for all reflections | 0.0771 |
| Weighted residual factors for significantly intense reflections | 0.0726 |
| Goodness-of-fit parameter for all reflections | 1.051 |
| Goodness-of-fit parameter for significantly intense reflections | 1.036 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
Version history
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Users of the data should acknowledge the original authors of the
structural data.