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Information card for entry 2244240
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| Coordinates | 2244240.cif |
|---|---|
| Structure factors | 2244240.hkl |
| Original IUCr paper | HTML |
| Chemical name | Trimethyl({tris[(phenylsulfanyl)methyl]silyl}methoxy)silane |
|---|---|
| Formula | C26 H32 O S3 Si |
| Calculated formula | C26 H32 O S3 Si |
| Title of publication | Crystal structure of trimeth-yl({tris-[(phenyl-sulfan-yl)meth-yl]sil-yl}meth-oxy)silane and Hirshfeld surface analysis of 3-bromo-2,2-bis-(bromo-meth-yl)propan-1-ol. |
| Authors of publication | Wappelhorst, Jan Frederick; Wattenberg, Jonathan; Strohmann, Carsten |
| Journal of publication | Acta crystallographica. Section E, Crystallographic communications |
| Year of publication | 2023 |
| Journal volume | 79 |
| Journal issue | Pt 4 |
| Pages of publication | 323 - 327 |
| a | 27.0415 ± 0.0012 Å |
| b | 6.9329 ± 0.0003 Å |
| c | 27.7963 ± 0.0014 Å |
| α | 90° |
| β | 96.939 ± 0.002° |
| γ | 90° |
| Cell volume | 5173 ± 0.4 Å3 |
| Cell temperature | 100 K |
| Ambient diffraction temperature | 100 K |
| Number of distinct elements | 5 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for all reflections | 0.0424 |
| Residual factor for significantly intense reflections | 0.0319 |
| Weighted residual factors for significantly intense reflections | 0.0711 |
| Weighted residual factors for all reflections included in the refinement | 0.0773 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.031 |
| 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 |
|---|---|---|---|
| 283588 (current) | 2023-05-06 | cif/ Updating files of 2244239, 2244240 Original log message: Adding full bibliography for 2244239--2244240.cif. |
2244240.cif 2244240.hkl |
| 281910 | 2023-03-16 | cif/ hkl/ Adding structures of 2244239, 2244240 via cif-deposit CGI script. |
2244240.cif 2244240.hkl |
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Users of the data should acknowledge the original authors of the
structural data.