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Information card for entry 4069575
Preview
| Coordinates | 4069575.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C27 H69 K O6 Si7 |
|---|---|
| Calculated formula | C27 H69 K O6 Si7 |
| SMILES | [K]12345([O]6CC[O]1CC[O]2CC[O]3CC[O]4CC[O]5CC6)[Si]([Si]([Si](C)(C)C)(C)C)([Si]([Si](C)(C)C)(C)C)[Si]([Si](C)(C)C)(C)C |
| Title of publication | Multiple Silyl Exchange Reactions: A Way to Spirooligosilanes |
| Authors of publication | Hlina, Johann; Mechtler, Christian; Wagner, Harald; Baumgartner, Judith; Marschner, Christoph |
| Journal of publication | Organometallics |
| Year of publication | 2009 |
| Journal volume | 28 |
| Journal issue | 14 |
| Pages of publication | 4065 |
| a | 12.684 ± 0.003 Å |
| b | 18.764 ± 0.004 Å |
| c | 19.958 ± 0.004 Å |
| α | 90° |
| β | 97.66 ± 0.03° |
| γ | 90° |
| Cell volume | 4707.7 ± 1.8 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 | 0.1956 |
| Residual factor for significantly intense reflections | 0.0911 |
| Weighted residual factors for significantly intense reflections | 0.2164 |
| Weighted residual factors for all reflections included in the refinement | 0.2695 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.927 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301829 (current) | 2025-08-20 | Add cross-references to PubChem compounds in COD range 4/06/ Each referenced PubChem compound corresponds to the full crystal structure. |
4069575.cif |
| 178584 | 2016-03-21 | cif/4/06/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/06/95. |
4069575.cif |
| 91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4069575.cif |
| 40346 | 2012-03-07 | ../uploads/cif-deposit/cod/cif Adding structures of 4069574, 4069575, 4069576, 4069577 via cif-deposit CGI script. |
4069575.cif |
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Users of the data should acknowledge the original authors of the
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