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Information card for entry 4086129
Preview
| Coordinates | 4086129.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C26 H25 O2 P Si |
|---|---|
| Calculated formula | C26 H25 O2 P Si |
| SMILES | C[Si](C)(O)c1ccc2c3c(ccc(P(=O)(c4ccccc4)c4ccccc4)c13)CC2 |
| Title of publication | Sterically Congested 5-Diphenylphosphinoacenaphth-6-yl-silanes and -silanols |
| Authors of publication | Hupf, Emanuel; Lork, Enno; Mebs, Stefan; Beckmann, Jens |
| Journal of publication | Organometallics |
| Year of publication | 2015 |
| Journal volume | 34 |
| Journal issue | 15 |
| Pages of publication | 3873 |
| a | 8.5238 ± 0.0002 Å |
| b | 15.6989 ± 0.0004 Å |
| c | 8.8409 ± 0.0002 Å |
| α | 90° |
| β | 112.525 ± 0.001° |
| γ | 90° |
| Cell volume | 1092.79 ± 0.05 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 4 |
| Hermann-Mauguin space group symbol | P 1 21 1 |
| Hall space group symbol | P 2yb |
| Residual factor for all reflections | 0.0504 |
| Residual factor for significantly intense reflections | 0.0394 |
| Weighted residual factors for significantly intense reflections | 0.084 |
| Weighted residual factors for all reflections included in the refinement | 0.0884 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.028 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301831 (current) | 2025-08-20 | Add cross-references to PubChem compounds in COD range 4/08/ Each referenced PubChem compound corresponds to the full crystal structure. |
4086129.cif |
| 176428 | 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. |
4086129.cif |
| 154728 | 2015-09-06 | cif/ Updating files of 4086126, 4086127, 4086128, 4086129, 4086130, 4086131 Original log message: Adding full bibliography for 4086126--4086131.cif. |
4086129.cif |
| 152622 | 2015-07-30 | cif/ Adding structures of 4086126, 4086127, 4086128, 4086129, 4086130, 4086131 via cif-deposit CGI script. |
4086129.cif |
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Users of the data should acknowledge the original authors of the
structural data.