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Information card for entry 7035527
Preview
| Coordinates | 7035527.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C8 H5 F15 O Si |
|---|---|
| Calculated formula | C8 H5 F15 O Si |
| SMILES | [Si](COC)(C(F)(F)C(F)(F)F)(C(F)(F)C(F)(F)F)C(F)(F)C(F)(F)F |
| Title of publication | Pentafluoroethyl-substituted α-silanes: model compounds for new insights. |
| Authors of publication | Waerder, Benedikt; Steinhauer, Simon; Bader, Julia; Neumann, Beate; Stammler, Hans-Georg; Vishnevskiy, Yury V.; Hoge, Berthold; Mitzel, Norbert W. |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2015 |
| Journal volume | 44 |
| Journal issue | 29 |
| Pages of publication | 13347 - 13358 |
| a | 10.2956 ± 0.0004 Å |
| b | 8.9617 ± 0.0002 Å |
| c | 15.4672 ± 0.0006 Å |
| α | 90° |
| β | 90.9977 ± 0.0016° |
| γ | 90° |
| Cell volume | 1426.88 ± 0.08 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 5 |
| 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 | 0.0459 |
| Residual factor for significantly intense reflections | 0.0301 |
| Weighted residual factors for significantly intense reflections | 0.071 |
| Weighted residual factors for all reflections included in the refinement | 0.0749 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.971 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 176428 (current) | 2016-02-13 | Replaced deprecated COD CIF data names with their more modern alternatives. The _cod_cif_authors_sg_Hall and _cod_cif_authors_sg_H-M data items were renamed to _cod_original_sg_symbol_Hall and _cod_cif_authors_sg_H-M respectively. |
7035527.cif |
| 153197 | 2015-08-08 | cif/ Updating files of 7035526, 7035527, 7035528, 7035529 Original log message: Adding full bibliography for 7035526--7035529.cif. |
7035527.cif |
| 139620 | 2015-06-25 | cif/ Adding structures of 7035526, 7035527, 7035528, 7035529 via cif-deposit CGI script. |
7035527.cif |
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Users of the data should acknowledge the original authors of the
structural data.