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Information card for entry 4082636
Preview
| Coordinates | 4082636.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C29 H70 O2 Si9 |
|---|---|
| Calculated formula | C29 H70 O2 Si9 |
| SMILES | [Si@]1([C@@H](O[Si]([Si]([Si]([Si]([Si]1(C)C)(C)C)([Si](C)(C)C)[Si](C)(C)C)(C)C)(C)C)C12CC3CC(C1)CC(C2)C3)(OC)[Si](C)(C)C.[Si@@]1([C@H](O[Si]([Si]([Si]([Si]([Si]1(C)C)(C)C)([Si](C)(C)C)[Si](C)(C)C)(C)C)(C)C)C12CC3CC(C1)CC(C2)C3)(OC)[Si](C)(C)C |
| Title of publication | Photoinduced Brook-Type Rearrangement of Acylcyclopolysilanes. |
| Authors of publication | Stueger, Harald; Hasken, Bernd; Haas, Michael; Rausch, Martin; Fischer, Roland; Torvisco, Ana |
| Journal of publication | Organometallics |
| Year of publication | 2014 |
| Journal volume | 33 |
| Journal issue | 1 |
| Pages of publication | 231 - 239 |
| a | 10.3156 ± 0.0004 Å |
| b | 11.6125 ± 0.0005 Å |
| c | 19.9069 ± 0.0007 Å |
| α | 84.182 ± 0.002° |
| β | 75.753 ± 0.002° |
| γ | 67.731 ± 0.001° |
| Cell volume | 2138.83 ± 0.15 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 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 | 0.0642 |
| Residual factor for significantly intense reflections | 0.056 |
| Weighted residual factors for significantly intense reflections | 0.1501 |
| Weighted residual factors for all reflections included in the refinement | 0.1603 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.038 |
| 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. |
4082636.cif |
| 178715 | 2016-03-21 | cif/4/08/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/08/26. |
4082636.cif |
| 104467 | 2014-03-11 | cif/ Adding structures of 4082632, 4082633, 4082634, 4082635, 4082636 via cif-deposit CGI script. |
4082636.cif |
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Users of the data should acknowledge the original authors of the
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