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Information card for entry 2243564
Preview
| Coordinates | 2243564.cif |
|---|---|
| Structure factors | 2243564.hkl |
| Original paper (by DOI) | HTML |
| Common name | b1135HAR |
|---|---|
| Formula | C13 H18 O3 Si |
| Calculated formula | C13 H18 O3 Si |
| SMILES | [Si](C1=CCCO1)(C1=CCCO1)(C1=CCCO1)C |
| Title of publication | Crystal structures, Hirshfeld atom refinements and Hirshfeld surface analyses of tris(4,5-dihydrofuran-2-yl)methylsilane and tris(4,5-dihydrofuran-2-yl)phenylsilane |
| Authors of publication | Krupp, Anna; Barth, Eva Rebecca; Seymen, Rana; Strohmann, Carsten |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2020 |
| Journal volume | 76 |
| Journal issue | 9 |
| Pages of publication | 1514 - 1519 |
| a | 7.9801 ± 0.0004 Å |
| b | 12.2381 ± 0.0005 Å |
| c | 13.3712 ± 0.0007 Å |
| α | 90° |
| β | 90.134 ± 0.002° |
| γ | 90° |
| Cell volume | 1305.84 ± 0.11 Å3 |
| Cell temperature | 100 K |
| Ambient diffraction temperature | 100 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 | 0.0234 |
| Residual factor for significantly intense reflections | 0.0234 |
| Weighted residual factors for all reflections | 0.0171 |
| Weighted residual factors for significantly intense reflections | 0.0171 |
| Weighted residual factors for all reflections included in the refinement | 0.0171 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.9368 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 255744 (current) | 2020-08-29 | cif/ hkl/ Adding structures of 2243563, 2243564, 2243565, 2243566 via cif-deposit CGI script. |
2243564.cif 2243564.hkl |
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Users of the data should acknowledge the original authors of the
structural data.