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Information card for entry 4066930
Preview
| Coordinates | 4066930.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C15 H28 O Si3 |
|---|---|
| Calculated formula | C15 H28 O Si3 |
| SMILES | C[Si]1(C)c2c(cc(c(c2)C(C)O)C)[Si](C)(C)[Si]1(C)C |
| Title of publication | 5,6-Disubstituted 1,2,3-Trisilaindanes as Silicon Analogues of Phantolide-Type Musk Odorants: Synthesis, Structure, Reactivity, and Olfactory Properties§ |
| Authors of publication | Gluyas, Josef B. G.; Burschka, Christian; Kraft, Philip; Tacke, Reinhold |
| Journal of publication | Organometallics |
| Year of publication | 2010 |
| Journal volume | 29 |
| Journal issue | 22 |
| Pages of publication | 5897 |
| a | 13.3164 ± 0.0013 Å |
| b | 8.2981 ± 0.0008 Å |
| c | 34.292 ± 0.003 Å |
| α | 90° |
| β | 93.436 ± 0.005° |
| γ | 90° |
| Cell volume | 3782.5 ± 0.6 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.0399 |
| Residual factor for significantly intense reflections | 0.0308 |
| Weighted residual factors for significantly intense reflections | 0.078 |
| Weighted residual factors for all reflections included in the refinement | 0.0836 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.052 |
| 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. |
4066930.cif |
| 178561 | 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 4/06/69. |
4066930.cif |
| 91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4066930.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4066930.cif |
| 34026 | 2012-02-13 | ../uploads/cif-deposit/cod/cif Adding structures of 4066928, 4066929, 4066930 via cif-deposit CGI script. |
4066930.cif |
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Users of the data should acknowledge the original authors of the
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