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Information card for entry 2102025
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| Coordinates | 2102025.cif |
|---|---|
| Structure factors | 2102025.hkl |
| Original IUCr paper | HTML |
| Chemical name | 1,1,3,3-Tetraphenyldisiloxane-1,3-diol‒pyrimidine (1/1) |
|---|---|
| Formula | C28 H26 N2 O3 Si2 |
| Calculated formula | C28 H26 N2 O3 Si2 |
| Title of publication | Oligosiloxanediols as building blocks for supramolecular chemistry: hydrogen-bonded adducts with amines form supramolecular structures in zero, one and two dimensions |
| Authors of publication | O'Leary, Brian; Spalding, Trevor R.; Ferguson, George; Glidewell, Christopher |
| Journal of publication | Acta Crystallographica Section B |
| Year of publication | 2000 |
| Journal volume | 56 |
| Journal issue | 2 |
| Pages of publication | 273 - 286 |
| a | 6.4358 ± 0.0005 Å |
| b | 10.2497 ± 0.0012 Å |
| c | 10.4056 ± 0.001 Å |
| α | 76 ± 0.007° |
| β | 84.438 ± 0.009° |
| γ | 86.372 ± 0.012° |
| Cell volume | 662.32 ± 0.11 Å3 |
| Cell temperature | 294 ± 1 K |
| Ambient diffraction temperature | 294 ± 1 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0521 |
| Residual factor for significantly intense reflections | 0.0423 |
| Weighted residual factors for all reflections included in the refinement | 0.1311 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.051 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | Yes |
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Users of the data should acknowledge the original authors of the
structural data.