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Information card for entry 2243948
Preview
| Coordinates | 2243948.cif |
|---|---|
| Structure factors | 2243948.hkl |
| Original paper (by DOI) | HTML |
| Chemical name | (4,5-Dihydrofuran-2-yl)(methyl)diphenylsilane |
|---|---|
| Formula | C17 H18 O Si |
| Calculated formula | C17 H18 O Si |
| SMILES | [Si](C1=CCCO1)(c1ccccc1)(c1ccccc1)C |
| Title of publication | Crystal structures and Hirshfeld surface analyses of bis(4,5-dihydrofuran-2-yl)dimethylsilane and (4,5-dihydrofuran-2-yl)(methyl)diphenylsilane |
| Authors of publication | Schmidt, Annika; Krupp, Anna; Barth, Eva Rebecca; Strohmann, Carsten |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2022 |
| Journal volume | 78 |
| Journal issue | 1 |
| a | 8.7737 ± 0.0004 Å |
| b | 9.1715 ± 0.0004 Å |
| c | 9.813 ± 0.0004 Å |
| α | 102.219 ± 0.002° |
| β | 90.613 ± 0.002° |
| γ | 110.28 ± 0.002° |
| Cell volume | 720.85 ± 0.06 Å3 |
| Cell temperature | 100 K |
| Ambient diffraction temperature | 100 K |
| Number of distinct elements | 4 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0497 |
| Residual factor for significantly intense reflections | 0.0398 |
| Weighted residual factors for significantly intense reflections | 0.0964 |
| Weighted residual factors for all reflections included in the refinement | 0.1049 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.062 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 271437 (current) | 2021-12-15 | cif/ hkl/ Adding structures of 2243947, 2243948 via cif-deposit CGI script. |
2243948.cif 2243948.hkl |
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Users of the data should acknowledge the original authors of the
structural data.